You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.

Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (4)transporters (3) Show 7 proteins XML

enzymes (4)transporters (3) Show 7 proteins

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-09-22 17:45:12 UTC

HMDB ID

HMDB0001562

Secondary Accession Numbers

HMDB0006206
HMDB0062757
HMDB01562
HMDB06206
HMDB62757

Metabolite Identification

Common Name

Folinic acid

Description

Folinic acid, also known as (6S)-leucovorin or levoleucovorin, belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit. In humans, folinic acid is involved in the metabolic disorder called the methylenetetrahydrofolate reductase deficiency (mthfrd) pathway. Folinic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make folinic acid a potential biomarker for the consumption of these foods. Folinic acid is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Folinic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652304202022172D          

 34 36  0  0  0  0            999 V2000
 9995.5441 9999.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2593 9999.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9725 9998.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6878 9997.9637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.5489 9999.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.2634 9999.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.9799 9999.6145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10002.6944 9999.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.4108 9999.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.1274 9999.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.8417 9999.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.1274 9998.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.979910000.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.694410000.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.263410000.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.548910000.4405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1155 9999.2056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.6871 9996.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8335 9999.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1193 9999.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4047 9999.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4047 9998.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1192 9997.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8336 9998.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1156 9998.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.4013 9997.9601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9993.4013 9997.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1156 9996.7227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8301 9997.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8301 9997.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.5445 9996.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2588 9997.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2589 9997.9600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.5444 9998.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  4 22  1  0  0  0  0
 19  5  1  0  0  0  0
 25 30  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 29 31  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 34  1  0  0  0  0
 33  3  1  1  0  0  0
 27 18  1  0  0  0  0
 25 17  2  0  0  0  0
M  END

HMDB0001562
     RDKit          3D
Folinic acid
 57 59  0  0  0  0  0  0  0  0999 V2000
  -10.0992    0.2535   -0.7863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7074   -0.0214   -0.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1375   -0.8877   -1.6469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8173   -1.1337   -1.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2796   -1.9449   -2.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9968   -0.5095   -0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5936    0.3859    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9010    0.5912    0.1122 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7067    0.9880    1.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4313    0.4438    1.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9819   -0.7346    0.6732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4925   -0.7755    0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904    0.3801    0.0459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4811    0.4982   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566   -0.5097    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -0.4088    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158    0.7050   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7594    0.8404   -0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2524    1.8719   -0.9230 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6556   -0.1347    0.0834 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    0.0167   -0.0400 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7432   -0.0188    1.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2219    0.1243    1.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7017    1.3986    0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    2.3058    0.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0715    1.6515    0.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -1.0560   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7902   -1.9053   -1.4292 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9269   -1.2350   -1.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988    1.7386   -0.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    1.5950   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143   -0.7110   -0.6413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8632   -0.8478   -1.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3533   -0.6534   -2.9609 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4202    1.2240   -0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8109   -0.4837   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3166    1.2673    0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0006    1.8955    1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5533    0.1433    2.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036    1.2692    1.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3215   -1.6546    1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719   -1.7090    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.9432    1.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4790    1.1584   -0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1359   -1.3784    0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164   -1.2361    0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156   -0.9998    0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3511    0.9730   -0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4765   -0.9984    1.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2832    0.7486    2.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    0.0672    2.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6997   -0.7432    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6965    0.8764    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1857   -1.5375   -2.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9660    2.6202   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861    2.3968   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952   -1.1393   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 17 30  1  0
 30 31  2  0
 11 32  1  0
 32 33  1  0
 33 34  2  0
  8  2  1  0
 31 14  1  0
 32  6  1  0
  1 35  1  0
  1 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  1
 12 42  1  0
 12 43  1  0
 13 44  1  0
 15 45  1  0
 16 46  1  0
 20 47  1  0
 21 48  1  6
 22 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 26 53  1  0
 29 54  1  0
 30 55  1  0
 31 56  1  0
 33 57  1  0
M  END


  Mrv1652304202022172D          

 34 36  0  0  0  0            999 V2000
 9995.5441 9999.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2593 9999.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9725 9998.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6878 9997.9637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.5489 9999.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.2634 9999.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.9799 9999.6145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10002.6944 9999.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.4108 9999.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.1274 9999.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.8417 9999.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.1274 9998.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.979910000.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.694410000.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.263410000.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.548910000.4405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1155 9999.2056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.6871 9996.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8335 9999.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1193 9999.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4047 9999.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4047 9998.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1192 9997.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8336 9998.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1156 9998.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.4013 9997.9601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9993.4013 9997.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1156 9996.7227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8301 9997.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8301 9997.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.5445 9996.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2588 9997.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2589 9997.9600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.5444 9998.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  4 22  1  0  0  0  0
 19  5  1  0  0  0  0
 25 30  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 29 31  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 34  1  0  0  0  0
 33  3  1  1  0  0  0
 27 18  1  0  0  0  0
 25 17  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001562

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1

> <INCHI_KEY>
VVIAGPKUTFNRDU-STQMWFEESA-N

> <FORMULA>
C20H23N7O7

> <MOLECULAR_WEIGHT>
473.4393

> <EXACT_MASS>
473.165896125

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
46.34154214681111

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid

> <ALOGPS_LOGP>
-1.06

> <JCHEM_LOGP>
-2.6744360693430935

> <ALOGPS_LOGS>
-3.20

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.2084919432830645

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4734158052231012

> <JCHEM_PKA_STRONGEST_BASIC>
2.807468599105256

> <JCHEM_POLAR_SURFACE_AREA>
215.55

> <JCHEM_REFRACTIVITY>
126.46200000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.00e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001562
     RDKit          3D
Folinic acid
 57 59  0  0  0  0  0  0  0  0999 V2000
  -10.0992    0.2535   -0.7863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7074   -0.0214   -0.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1375   -0.8877   -1.6469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8173   -1.1337   -1.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2796   -1.9449   -2.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9968   -0.5095   -0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5936    0.3859    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9010    0.5912    0.1122 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7067    0.9880    1.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4313    0.4438    1.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9819   -0.7346    0.6732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4925   -0.7755    0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904    0.3801    0.0459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4811    0.4982   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566   -0.5097    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -0.4088    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158    0.7050   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7594    0.8404   -0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2524    1.8719   -0.9230 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6556   -0.1347    0.0834 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    0.0167   -0.0400 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7432   -0.0188    1.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2219    0.1243    1.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7017    1.3986    0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    2.3058    0.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0715    1.6515    0.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -1.0560   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7902   -1.9053   -1.4292 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9269   -1.2350   -1.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988    1.7386   -0.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    1.5950   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143   -0.7110   -0.6413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8632   -0.8478   -1.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3533   -0.6534   -2.9609 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4202    1.2240   -0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8109   -0.4837   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3166    1.2673    0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0006    1.8955    1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5533    0.1433    2.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036    1.2692    1.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3215   -1.6546    1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719   -1.7090    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.9432    1.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4790    1.1584   -0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1359   -1.3784    0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164   -1.2361    0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156   -0.9998    0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3511    0.9730   -0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4765   -0.9984    1.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2832    0.7486    2.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    0.0672    2.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6997   -0.7432    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6965    0.8764    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1857   -1.5375   -2.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9660    2.6202   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861    2.3968   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952   -1.1393   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 17 30  1  0
 30 31  2  0
 11 32  1  0
 32 33  1  0
 33 34  2  0
  8  2  1  0
 31 14  1  0
 32  6  1  0
  1 35  1  0
  1 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  1
 12 42  1  0
 12 43  1  0
 13 44  1  0
 15 45  1  0
 16 46  1  0
 20 47  1  0
 21 48  1  6
 22 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 26 53  1  0
 29 54  1  0
 30 55  1  0
 31 56  1  0
 33 57  1  0
M  END

HEADER    PROTEIN                                 20-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-20         0                                  
HETATM    1  C   UNK     0    8658.3498665.184   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8659.6848665.951   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8661.0158663.634   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0    8662.3518662.866   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0    8667.6918665.947   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0    8669.0258665.176   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0    8670.3628665.947   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8671.6968665.176   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8673.0338665.947   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8674.3718665.176   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8675.7058665.947   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8674.3718663.634   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0    8670.3628667.489   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0    8671.6968668.260   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8669.0258668.260   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8667.6918667.489   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    8655.6828665.184   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0    8653.0168660.539   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0    8666.3568665.176   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8665.0238665.945   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8663.6898665.176   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8663.6898663.636   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8665.0238662.866   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8666.3568663.636   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8655.6828663.629   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0    8654.3498662.859   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0    8654.3498661.319   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0    8655.6828660.549   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0    8657.0168661.319   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8657.0168662.859   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0    8658.3508660.549   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0    8659.6838661.319   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8659.6838662.859   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0    8658.3508663.629   0.000  0.00  0.00           N+0
CONECT    1    2   34                                                       
CONECT    2    1                                                            
CONECT    3    4   33                                                       
CONECT    4    3   22                                                       
CONECT    5    6   16   19                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   13                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    7   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    5                                                            
CONECT   17   25                                                            
CONECT   18   27                                                            
CONECT   19   20   24    5                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23    4                                                  
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
CONECT   25   30   26   17                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   18                                                  
CONECT   28   27   29                                                       
CONECT   29   30   31   28                                                  
CONECT   30   25   29   34                                                  
CONECT   31   32   29                                                       
CONECT   32   33   31                                                       
CONECT   33   32   34    3                                                  
CONECT   34   33   30    1                                                  
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

COMPND    HMDB0001562
HETATM    1  N1  UNL     1     -10.099   0.253  -0.786  1.00  0.00           N  
HETATM    2  C1  UNL     1      -8.707  -0.021  -0.781  1.00  0.00           C  
HETATM    3  N2  UNL     1      -8.138  -0.888  -1.647  1.00  0.00           N  
HETATM    4  C2  UNL     1      -6.817  -1.134  -1.624  1.00  0.00           C  
HETATM    5  O1  UNL     1      -6.280  -1.945  -2.428  1.00  0.00           O  
HETATM    6  C3  UNL     1      -5.997  -0.509  -0.717  1.00  0.00           C  
HETATM    7  C4  UNL     1      -6.594   0.386   0.178  1.00  0.00           C  
HETATM    8  N3  UNL     1      -7.901   0.591   0.112  1.00  0.00           N  
HETATM    9  N4  UNL     1      -5.707   0.988   1.100  1.00  0.00           N  
HETATM   10  C5  UNL     1      -4.431   0.444   1.508  1.00  0.00           C  
HETATM   11  C6  UNL     1      -3.982  -0.735   0.673  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.493  -0.775   0.617  1.00  0.00           C  
HETATM   13  N5  UNL     1      -1.890   0.380   0.046  1.00  0.00           N  
HETATM   14  C8  UNL     1      -0.481   0.498  -0.064  1.00  0.00           C  
HETATM   15  C9  UNL     1       0.357  -0.510   0.397  1.00  0.00           C  
HETATM   16  C10 UNL     1       1.733  -0.409   0.297  1.00  0.00           C  
HETATM   17  C11 UNL     1       2.316   0.705  -0.267  1.00  0.00           C  
HETATM   18  C12 UNL     1       3.759   0.840  -0.383  1.00  0.00           C  
HETATM   19  O2  UNL     1       4.252   1.872  -0.923  1.00  0.00           O  
HETATM   20  N6  UNL     1       4.656  -0.135   0.083  1.00  0.00           N  
HETATM   21  C13 UNL     1       6.114   0.017  -0.040  1.00  0.00           C  
HETATM   22  C14 UNL     1       6.743  -0.019   1.313  1.00  0.00           C  
HETATM   23  C15 UNL     1       8.222   0.124   1.355  1.00  0.00           C  
HETATM   24  C16 UNL     1       8.702   1.399   0.805  1.00  0.00           C  
HETATM   25  O3  UNL     1       7.953   2.306   0.379  1.00  0.00           O  
HETATM   26  O4  UNL     1      10.071   1.651   0.735  1.00  0.00           O  
HETATM   27  C17 UNL     1       6.604  -1.056  -0.935  1.00  0.00           C  
HETATM   28  O5  UNL     1       5.790  -1.905  -1.429  1.00  0.00           O  
HETATM   29  O6  UNL     1       7.927  -1.235  -1.305  1.00  0.00           O  
HETATM   30  C18 UNL     1       1.499   1.739  -0.741  1.00  0.00           C  
HETATM   31  C19 UNL     1       0.137   1.595  -0.621  1.00  0.00           C  
HETATM   32  N7  UNL     1      -4.614  -0.711  -0.641  1.00  0.00           N  
HETATM   33  C20 UNL     1      -3.863  -0.848  -1.831  1.00  0.00           C  
HETATM   34  O7  UNL     1      -4.353  -0.653  -2.961  1.00  0.00           O  
HETATM   35  H1  UNL     1     -10.420   1.224  -0.952  1.00  0.00           H  
HETATM   36  H2  UNL     1     -10.811  -0.484  -0.630  1.00  0.00           H  
HETATM   37  H3  UNL     1      -8.317   1.267   0.794  1.00  0.00           H  
HETATM   38  H4  UNL     1      -6.001   1.896   1.518  1.00  0.00           H  
HETATM   39  H5  UNL     1      -4.553   0.143   2.589  1.00  0.00           H  
HETATM   40  H6  UNL     1      -3.704   1.269   1.502  1.00  0.00           H  
HETATM   41  H7  UNL     1      -4.322  -1.655   1.184  1.00  0.00           H  
HETATM   42  H8  UNL     1      -2.172  -1.709   0.073  1.00  0.00           H  
HETATM   43  H9  UNL     1      -2.141  -0.943   1.671  1.00  0.00           H  
HETATM   44  H10 UNL     1      -2.479   1.158  -0.301  1.00  0.00           H  
HETATM   45  H11 UNL     1      -0.136  -1.378   0.838  1.00  0.00           H  
HETATM   46  H12 UNL     1       2.316  -1.236   0.679  1.00  0.00           H  
HETATM   47  H13 UNL     1       4.316  -1.000   0.534  1.00  0.00           H  
HETATM   48  H14 UNL     1       6.351   0.973  -0.534  1.00  0.00           H  
HETATM   49  H15 UNL     1       6.476  -0.998   1.810  1.00  0.00           H  
HETATM   50  H16 UNL     1       6.283   0.749   2.002  1.00  0.00           H  
HETATM   51  H17 UNL     1       8.558   0.067   2.439  1.00  0.00           H  
HETATM   52  H18 UNL     1       8.700  -0.743   0.816  1.00  0.00           H  
HETATM   53  H19 UNL     1      10.696   0.876   0.701  1.00  0.00           H  
HETATM   54  H20 UNL     1       8.186  -1.537  -2.247  1.00  0.00           H  
HETATM   55  H21 UNL     1       1.966   2.620  -1.187  1.00  0.00           H  
HETATM   56  H22 UNL     1      -0.486   2.397  -0.989  1.00  0.00           H  
HETATM   57  H23 UNL     1      -2.795  -1.139  -1.783  1.00  0.00           H  
CONECT    1    2   35   36
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    7   32
CONECT    7    8    9
CONECT    8   37
CONECT    9   10   38
CONECT   10   11   39   40
CONECT   11   12   32   41
CONECT   12   13   42   43
CONECT   13   14   44
CONECT   14   15   15   31
CONECT   15   16   45
CONECT   16   17   17   46
CONECT   17   18   30
CONECT   18   19   19   20
CONECT   20   21   47
CONECT   21   22   27   48
CONECT   22   23   49   50
CONECT   23   24   51   52
CONECT   24   25   25   26
CONECT   26   53
CONECT   27   28   28   29
CONECT   29   54
CONECT   30   31   31   55
CONECT   31   56
CONECT   32   33
CONECT   33   34   34   57
END

HMDB0001562
     RDKit          3D
Folinic acid
 57 59  0  0  0  0  0  0  0  0999 V2000
  -10.0992    0.2535   -0.7863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7074   -0.0214   -0.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1375   -0.8877   -1.6469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8173   -1.1337   -1.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2796   -1.9449   -2.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9968   -0.5095   -0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5936    0.3859    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9010    0.5912    0.1122 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7067    0.9880    1.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4313    0.4438    1.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9819   -0.7346    0.6732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4925   -0.7755    0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904    0.3801    0.0459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4811    0.4982   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566   -0.5097    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -0.4088    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158    0.7050   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7594    0.8404   -0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2524    1.8719   -0.9230 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6556   -0.1347    0.0834 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    0.0167   -0.0400 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7432   -0.0188    1.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2219    0.1243    1.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7017    1.3986    0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    2.3058    0.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0715    1.6515    0.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -1.0560   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7902   -1.9053   -1.4292 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9269   -1.2350   -1.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988    1.7386   -0.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    1.5950   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143   -0.7110   -0.6413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8632   -0.8478   -1.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3533   -0.6534   -2.9609 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4202    1.2240   -0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8109   -0.4837   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3166    1.2673    0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0006    1.8955    1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5533    0.1433    2.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036    1.2692    1.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3215   -1.6546    1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719   -1.7090    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.9432    1.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4790    1.1584   -0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1359   -1.3784    0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164   -1.2361    0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156   -0.9998    0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3511    0.9730   -0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4765   -0.9984    1.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2832    0.7486    2.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    0.0672    2.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6997   -0.7432    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6965    0.8764    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1857   -1.5375   -2.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9660    2.6202   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861    2.3968   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952   -1.1393   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 17 30  1  0
 30 31  2  0
 11 32  1  0
 32 33  1  0
 33 34  2  0
  8  2  1  0
 31 14  1  0
 32  6  1  0
  1 35  1  0
  1 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  1
 12 42  1  0
 12 43  1  0
 13 44  1  0
 15 45  1  0
 16 46  1  0
 20 47  1  0
 21 48  1  6
 22 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 26 53  1  0
 29 54  1  0
 30 55  1  0
 31 56  1  0
 33 57  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(6S)-5-Formyl-5,6,7,8-tetrahydrofolic acid	ChEBI
(6S)-Folinic acid	ChEBI
(6S)-Leucovorin	ChEBI
(S)-Leucovorin	ChEBI
Citrovorum factor	ChEBI
L-Folinic acid	ChEBI
Levofolene	ChEBI
Levofolinic acid	ChEBI
Levoleucovorin	ChEBI
N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid	ChEBI
(6S)-5-Formyl-5,6,7,8-tetrahydrofolate	Generator
(6S)-Folinate	Generator
L-Folinate	Generator
Levofolinate	Generator
N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamate	Generator
Folinate	Generator
5-Formyltetrahydrofolate	HMDB
Pteroyl-D-glutamate	HMDB
5 Formyltetrahydropteroylglutamate	HMDB
5-Formyltetrahydropteroylglutamate	HMDB
Calcium folinate	HMDB
Folinic acid-SF	HMDB
Leucovorin	HMDB
Leucovorin, (S)-isomer	HMDB
Leucovorin, monosodium salt	HMDB
Leucovorin, (R)-isomer	HMDB
Leucovorin, calcium	HMDB
Leucovorin, calcium (1:1) salt, (DL)-isomer	HMDB
Leucovorin, calcium (1:1) salt, (S)-isomer	HMDB
Leukovorin	HMDB
Leukovorum	HMDB
Monosodium salt leucovorin	HMDB
Wellcovorin	HMDB
Levo leucovorin	HMDB
6 S Leucovorin	HMDB
Acid, folinic	HMDB
Factor, citrovorum	HMDB
Folinic acid SF	HMDB
Fusilev	HMDB
Leucovorin, calcium (1:1) salt, pentahydrate	HMDB
Leucovorin, monopotassium salt, (S)-isomer	HMDB
N(5)-Formyltetrahydrofolate	HMDB
S-Leucovorin	HMDB
5 Formyltetrahydrofolate	HMDB
6-S-Leucovorin	HMDB
6S Leucovorin	HMDB
6S-Leucovorin	HMDB
Calcium leucovorin	HMDB
Folinate, calcium	HMDB
Leucovorin, (D)-isomer	HMDB
Leucovorin, (DL)-isomer	HMDB
Leucovorin, calcium (1:1) salt	HMDB
Leucovorin, monosodium salt, (S)-isomer	HMDB
S Leucovorin	HMDB
Levo-leucovorin	HMDB
5-Formyl-(6S)-tetrahydrofolic acid	HMDB
5-Formyl-5,6,7,8-tetrahydrofolic acid	HMDB
5-Formyltetrahydrofolic acid	HMDB
5-Formyltetrahydropteroylglutamic acid	HMDB
CF	HMDB
Kunyrin	HMDB
Leucoverin	HMDB
N5-Formyl-5,6,7,8-tetrahydrofolic acid	HMDB
N5-Formyl-THF	HMDB
N5-Formyltetrahydrofolic acid	HMDB
Welcovorin	HMDB
(6S)-5-Formyltetrahydrofolate	HMDB
(6S)-5-Formyltetrahydrofolic acid	HMDB
Folinic acid	MeSH

Chemical Formula

C₂₀H₂₃N₇O₇

Average Molecular Weight

473.4393

Monoisotopic Molecular Weight

473.165896125

IUPAC Name

(2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid

Traditional Name

(2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid

CAS Registry Number

68538-85-2

SMILES

NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1

InChI Identifier

InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1

InChI Key

VVIAGPKUTFNRDU-STQMWFEESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Tetrahydrofolic acids

Alternative Parents

Substituents

Tetrahydrofolic acid
Glutamic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Hippuric acid
Hippuric acid or derivatives
Alpha-amino acid or derivatives
Aminobenzamide
Aminobenzoic acid or derivatives
Benzamide
Benzoic acid or derivatives
Benzoyl
Aniline or substituted anilines
Phenylalkylamine
Aminopyrimidine
Secondary aliphatic/aromatic amine
Pyrimidone
Dicarboxylic acid or derivatives
Benzenoid
Pyrimidine
Monocyclic benzene moiety
Heteroaromatic compound
Vinylogous amide
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary amine
Carboxylic acid
Carboxylic acid derivative
Azacycle
Organooxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Primary amine
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

5-formyltetrahydrofolic acid (CHEBI:63606 )

Ontology

Not Available

Urine (PMID: 20971021)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	MetCCS_train_neg	196.259	30932474
[M+H]+	MetCCS_train_pos	196.92	30932474

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.3 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-2.7	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	3.47	ChemAxon
pKa (Strongest Basic)	2.81	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	215.55 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	126.46 m³·mol⁻¹	ChemAxon
Polarizability	46.34 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	202.217	30932474
DeepCCS	[M-H]-	199.821	30932474
DeepCCS	[M-2H]-	232.705	30932474
DeepCCS	[M+Na]+	208.129	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Folinic acid	NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1	5844.0	Standard polar	33892256
Folinic acid	NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1	4185.3	Standard non polar	33892256
Folinic acid	NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1	5213.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Folinic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O	4836.3	Semi standard non polar	33892256
Folinic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1	4827.8	Semi standard non polar	33892256
Folinic acid,1TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)[NH]1	4997.7	Semi standard non polar	33892256
Folinic acid,1TMS,isomer #4	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N)=NC2=O	4739.7	Semi standard non polar	33892256
Folinic acid,1TMS,isomer #5	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4821.3	Semi standard non polar	33892256
Folinic acid,1TMS,isomer #6	C[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	4809.5	Semi standard non polar	33892256
Folinic acid,1TMS,isomer #7	C[Si](C)(C)N1C(N)=NC(=O)C2=C1NC[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)N2C=O	4834.6	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4638.9	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1	4511.0	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1	4647.1	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #12	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)[NH]1)[Si](C)(C)C	4820.4	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4827.1	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)N2C=O	4710.8	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4799.3	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4794.0	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #17	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4501.4	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #18	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N)=NC2=O	4470.2	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #19	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N)=NC2=O	4571.0	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)[NH]1	4783.9	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #20	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4627.7	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #21	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4546.4	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #22	C[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	4599.1	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4586.8	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4588.8	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O	4504.0	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4656.1	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)[NH]1	4781.7	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4614.3	Semi standard non polar	33892256
Folinic acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4580.8	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)[NH]1	4648.0	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)[NH]1	4250.3	Standard non polar	33892256
Folinic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)[NH]1	6891.1	Standard polar	33892256
Folinic acid,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4593.3	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4298.0	Standard non polar	33892256
Folinic acid,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)[NH]1	6915.8	Standard polar	33892256
Folinic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4384.9	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4144.6	Standard non polar	33892256
Folinic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6595.9	Standard polar	33892256
Folinic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4291.4	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4188.7	Standard non polar	33892256
Folinic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6616.7	Standard polar	33892256
Folinic acid,3TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4463.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4221.5	Standard non polar	33892256
Folinic acid,3TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6921.5	Standard polar	33892256
Folinic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4310.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4213.6	Standard non polar	33892256
Folinic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	6557.9	Standard polar	33892256
Folinic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4478.6	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4232.9	Standard non polar	33892256
Folinic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	6840.9	Standard polar	33892256
Folinic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4450.0	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4288.2	Standard non polar	33892256
Folinic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	6788.8	Standard polar	33892256
Folinic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	4645.3	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	4356.0	Standard non polar	33892256
Folinic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	6693.8	Standard polar	33892256
Folinic acid,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4677.9	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4340.0	Standard non polar	33892256
Folinic acid,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6882.1	Standard polar	33892256
Folinic acid,3TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)N2C=O	4531.4	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)N2C=O	4282.5	Standard non polar	33892256
Folinic acid,3TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)N2C=O	6574.8	Standard polar	33892256
Folinic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4480.4	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4119.2	Standard non polar	33892256
Folinic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6718.9	Standard polar	33892256
Folinic acid,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4607.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4261.5	Standard non polar	33892256
Folinic acid,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6751.8	Standard polar	33892256
Folinic acid,3TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4611.1	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4264.1	Standard non polar	33892256
Folinic acid,3TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	6867.3	Standard polar	33892256
Folinic acid,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4397.3	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4112.3	Standard non polar	33892256
Folinic acid,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6548.5	Standard polar	33892256
Folinic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4310.6	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4145.3	Standard non polar	33892256
Folinic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6571.7	Standard polar	33892256
Folinic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4473.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4179.2	Standard non polar	33892256
Folinic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6873.8	Standard polar	33892256
Folinic acid,3TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4306.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4160.7	Standard non polar	33892256
Folinic acid,3TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1	6481.4	Standard polar	33892256
Folinic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4461.6	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4188.2	Standard non polar	33892256
Folinic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	6759.8	Standard polar	33892256
Folinic acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1	4436.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1	4237.8	Standard non polar	33892256
Folinic acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1	6711.0	Standard polar	33892256
Folinic acid,3TMS,isomer #28	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C)[Si](C)(C)C	4716.8	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #28	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C)[Si](C)(C)C	4501.0	Standard non polar	33892256
Folinic acid,3TMS,isomer #28	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C)[Si](C)(C)C	6826.6	Standard polar	33892256
Folinic acid,3TMS,isomer #29	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4561.0	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #29	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4434.2	Standard non polar	33892256
Folinic acid,3TMS,isomer #29	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	6507.7	Standard polar	33892256
Folinic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4456.2	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4101.2	Standard non polar	33892256
Folinic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6618.3	Standard polar	33892256
Folinic acid,3TMS,isomer #30	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4671.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #30	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4438.9	Standard non polar	33892256
Folinic acid,3TMS,isomer #30	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	6627.6	Standard polar	33892256
Folinic acid,3TMS,isomer #31	C[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	4603.2	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #31	C[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	4388.7	Standard non polar	33892256
Folinic acid,3TMS,isomer #31	C[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	6723.1	Standard polar	33892256
Folinic acid,3TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4599.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4439.2	Standard non polar	33892256
Folinic acid,3TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	6573.6	Standard polar	33892256
Folinic acid,3TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4661.8	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4398.2	Standard non polar	33892256
Folinic acid,3TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6811.6	Standard polar	33892256
Folinic acid,3TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4622.6	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4382.1	Standard non polar	33892256
Folinic acid,3TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6909.0	Standard polar	33892256
Folinic acid,3TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	4542.0	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	4357.4	Standard non polar	33892256
Folinic acid,3TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	6512.5	Standard polar	33892256
Folinic acid,3TMS,isomer #36	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	4509.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #36	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	4321.8	Standard non polar	33892256
Folinic acid,3TMS,isomer #36	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	6592.6	Standard polar	33892256
Folinic acid,3TMS,isomer #37	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4586.3	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #37	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4287.5	Standard non polar	33892256
Folinic acid,3TMS,isomer #37	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6763.2	Standard polar	33892256
Folinic acid,3TMS,isomer #38	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4423.7	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #38	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4309.6	Standard non polar	33892256
Folinic acid,3TMS,isomer #38	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	6635.5	Standard polar	33892256
Folinic acid,3TMS,isomer #39	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4277.5	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #39	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4195.8	Standard non polar	33892256
Folinic acid,3TMS,isomer #39	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	6462.8	Standard polar	33892256
Folinic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4351.4	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4147.4	Standard non polar	33892256
Folinic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	6637.9	Standard polar	33892256
Folinic acid,3TMS,isomer #40	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N)=NC2=O	4382.0	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #40	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N)=NC2=O	4259.5	Standard non polar	33892256
Folinic acid,3TMS,isomer #40	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N)=NC2=O	6708.3	Standard polar	33892256
Folinic acid,3TMS,isomer #41	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4410.5	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #41	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4230.0	Standard non polar	33892256
Folinic acid,3TMS,isomer #41	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	6758.2	Standard polar	33892256
Folinic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4539.3	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4170.9	Standard non polar	33892256
Folinic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	6930.9	Standard polar	33892256
Folinic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4651.9	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4414.4	Standard non polar	33892256
Folinic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	6775.5	Standard polar	33892256
Folinic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4678.4	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4385.4	Standard non polar	33892256
Folinic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	6960.2	Standard polar	33892256
Folinic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)N2C=O	4539.2	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)N2C=O	4335.2	Standard non polar	33892256
Folinic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)N2C=O	6646.1	Standard polar	33892256
Folinic acid,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4614.5	Semi standard non polar	33892256
Folinic acid,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4324.8	Standard non polar	33892256
Folinic acid,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6831.8	Standard polar	33892256
Folinic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4560.7	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4267.6	Standard non polar	33892256
Folinic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	6263.3	Standard polar	33892256
Folinic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4399.6	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4072.8	Standard non polar	33892256
Folinic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6459.4	Standard polar	33892256
Folinic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4331.9	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4179.1	Standard non polar	33892256
Folinic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	6437.7	Standard polar	33892256
Folinic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4469.4	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4333.5	Standard non polar	33892256
Folinic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6295.6	Standard polar	33892256
Folinic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4531.3	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4325.4	Standard non polar	33892256
Folinic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	6212.1	Standard polar	33892256
Folinic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4459.7	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4362.3	Standard non polar	33892256
Folinic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	6120.9	Standard polar	33892256
Folinic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4604.5	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4384.3	Standard non polar	33892256
Folinic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	6360.0	Standard polar	33892256
Folinic acid,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4476.2	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4344.6	Standard non polar	33892256
Folinic acid,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	6186.1	Standard polar	33892256
Folinic acid,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4539.8	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4260.8	Standard non polar	33892256
Folinic acid,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6422.4	Standard polar	33892256
Folinic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4499.6	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4288.0	Standard non polar	33892256
Folinic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6506.7	Standard polar	33892256
Folinic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	4401.1	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	4236.3	Standard non polar	33892256
Folinic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	6138.8	Standard polar	33892256
Folinic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4590.7	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4218.7	Standard non polar	33892256
Folinic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6479.8	Standard polar	33892256
Folinic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	4372.4	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	4254.1	Standard non polar	33892256
Folinic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	6214.7	Standard polar	33892256
Folinic acid,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4433.9	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4181.1	Standard non polar	33892256
Folinic acid,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6357.2	Standard polar	33892256
Folinic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4168.6	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4108.6	Standard non polar	33892256
Folinic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6174.4	Standard polar	33892256
Folinic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4321.4	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4130.8	Standard non polar	33892256
Folinic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6437.6	Standard polar	33892256
Folinic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4259.7	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4216.6	Standard non polar	33892256
Folinic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6416.3	Standard polar	33892256
Folinic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4319.5	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4212.5	Standard non polar	33892256
Folinic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	6346.6	Standard polar	33892256
Folinic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4484.5	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4311.7	Standard non polar	33892256
Folinic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6258.0	Standard polar	33892256
Folinic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4520.8	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4291.1	Standard non polar	33892256
Folinic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	6148.3	Standard polar	33892256
Folinic acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	4443.5	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	4326.9	Standard non polar	33892256
Folinic acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	6061.0	Standard polar	33892256
Folinic acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	4585.1	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	4357.0	Standard non polar	33892256
Folinic acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	6295.6	Standard polar	33892256
Folinic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)N2C=O	4448.9	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)N2C=O	4196.6	Standard non polar	33892256
Folinic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)N2C=O	6174.9	Standard polar	33892256
Folinic acid,4TMS,isomer #30	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4481.2	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #30	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4313.8	Standard non polar	33892256
Folinic acid,4TMS,isomer #30	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6127.5	Standard polar	33892256
Folinic acid,4TMS,isomer #31	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4539.4	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #31	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4229.2	Standard non polar	33892256
Folinic acid,4TMS,isomer #31	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6360.5	Standard polar	33892256
Folinic acid,4TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4516.0	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4268.7	Standard non polar	33892256
Folinic acid,4TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6469.1	Standard polar	33892256
Folinic acid,4TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4411.6	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4204.0	Standard non polar	33892256
Folinic acid,4TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	6081.5	Standard polar	33892256
Folinic acid,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	4381.9	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	4225.4	Standard non polar	33892256
Folinic acid,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	6181.3	Standard polar	33892256
Folinic acid,4TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4453.7	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4161.7	Standard non polar	33892256
Folinic acid,4TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6321.0	Standard polar	33892256
Folinic acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4180.8	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4086.9	Standard non polar	33892256
Folinic acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6139.2	Standard polar	33892256
Folinic acid,4TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4336.1	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4115.5	Standard non polar	33892256
Folinic acid,4TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6399.2	Standard polar	33892256
Folinic acid,4TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4291.9	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4187.7	Standard non polar	33892256
Folinic acid,4TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6380.7	Standard polar	33892256
Folinic acid,4TMS,isomer #39	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4319.9	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #39	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4187.4	Standard non polar	33892256
Folinic acid,4TMS,isomer #39	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	6283.1	Standard polar	33892256
Folinic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4506.0	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4117.9	Standard non polar	33892256
Folinic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6337.4	Standard polar	33892256
Folinic acid,4TMS,isomer #40	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4532.7	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #40	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4467.9	Standard non polar	33892256
Folinic acid,4TMS,isomer #40	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	6071.3	Standard polar	33892256
Folinic acid,4TMS,isomer #41	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4594.0	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #41	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4407.2	Standard non polar	33892256
Folinic acid,4TMS,isomer #41	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	6228.1	Standard polar	33892256
Folinic acid,4TMS,isomer #42	C[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	4508.8	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #42	C[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	4409.3	Standard non polar	33892256
Folinic acid,4TMS,isomer #42	C[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	6319.6	Standard polar	33892256
Folinic acid,4TMS,isomer #43	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4458.6	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #43	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4389.0	Standard non polar	33892256
Folinic acid,4TMS,isomer #43	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5998.4	Standard polar	33892256
Folinic acid,4TMS,isomer #44	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4379.2	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #44	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4376.2	Standard non polar	33892256
Folinic acid,4TMS,isomer #44	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	6083.6	Standard polar	33892256
Folinic acid,4TMS,isomer #45	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4461.5	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #45	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4343.2	Standard non polar	33892256
Folinic acid,4TMS,isomer #45	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	6164.4	Standard polar	33892256
Folinic acid,4TMS,isomer #46	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4486.3	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #46	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4358.9	Standard non polar	33892256
Folinic acid,4TMS,isomer #46	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6058.2	Standard polar	33892256
Folinic acid,4TMS,isomer #47	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4432.6	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #47	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4351.2	Standard non polar	33892256
Folinic acid,4TMS,isomer #47	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6144.9	Standard polar	33892256
Folinic acid,4TMS,isomer #48	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4475.9	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #48	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4272.7	Standard non polar	33892256
Folinic acid,4TMS,isomer #48	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6371.2	Standard polar	33892256
Folinic acid,4TMS,isomer #49	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4371.3	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #49	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4246.9	Standard non polar	33892256
Folinic acid,4TMS,isomer #49	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	6090.7	Standard polar	33892256
Folinic acid,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4518.5	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4171.5	Standard non polar	33892256
Folinic acid,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	6428.9	Standard polar	33892256
Folinic acid,4TMS,isomer #50	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4278.3	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #50	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4224.5	Standard non polar	33892256
Folinic acid,4TMS,isomer #50	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	6265.7	Standard polar	33892256
Folinic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4326.7	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4032.9	Standard non polar	33892256
Folinic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6234.8	Standard polar	33892256
Folinic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4219.8	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4096.8	Standard non polar	33892256
Folinic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6295.3	Standard polar	33892256
Folinic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4406.4	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4111.7	Standard non polar	33892256
Folinic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6559.7	Standard polar	33892256
Folinic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4207.2	Semi standard non polar	33892256
Folinic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4067.5	Standard non polar	33892256
Folinic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6207.4	Standard polar	33892256
Folinic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4427.9	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4226.6	Standard non polar	33892256
Folinic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	5865.3	Standard polar	33892256
Folinic acid,5TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4394.6	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4060.6	Standard non polar	33892256
Folinic acid,5TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	5935.9	Standard polar	33892256
Folinic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4135.7	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4018.6	Standard non polar	33892256
Folinic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	5897.6	Standard polar	33892256
Folinic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4307.5	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4024.6	Standard non polar	33892256
Folinic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6144.4	Standard polar	33892256
Folinic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4226.3	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4135.2	Standard non polar	33892256
Folinic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6147.5	Standard polar	33892256
Folinic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4270.7	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4094.6	Standard non polar	33892256
Folinic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6054.0	Standard polar	33892256
Folinic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4385.3	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4242.1	Standard non polar	33892256
Folinic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	5798.2	Standard polar	33892256
Folinic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4313.4	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4314.6	Standard non polar	33892256
Folinic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	5740.5	Standard polar	33892256
Folinic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4426.3	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4317.0	Standard non polar	33892256
Folinic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	5960.7	Standard polar	33892256
Folinic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4391.6	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4284.2	Standard non polar	33892256
Folinic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	5653.6	Standard polar	33892256
Folinic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4504.0	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4270.1	Standard non polar	33892256
Folinic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	5870.5	Standard polar	33892256
Folinic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4472.1	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4170.1	Standard non polar	33892256
Folinic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	5762.7	Standard polar	33892256
Folinic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4454.5	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4393.8	Standard non polar	33892256
Folinic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	5711.6	Standard polar	33892256
Folinic acid,5TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4396.4	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4235.8	Standard non polar	33892256
Folinic acid,5TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5718.1	Standard polar	33892256
Folinic acid,5TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4334.8	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4280.8	Standard non polar	33892256
Folinic acid,5TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	5805.6	Standard polar	33892256
Folinic acid,5TMS,isomer #23	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4395.9	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #23	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4159.8	Standard non polar	33892256
Folinic acid,5TMS,isomer #23	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6025.2	Standard polar	33892256
Folinic acid,5TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4291.7	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4160.3	Standard non polar	33892256
Folinic acid,5TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	5757.1	Standard polar	33892256
Folinic acid,5TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4216.2	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4148.0	Standard non polar	33892256
Folinic acid,5TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6030.8	Standard polar	33892256
Folinic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4398.5	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4232.4	Standard non polar	33892256
Folinic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	5768.4	Standard polar	33892256
Folinic acid,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4318.5	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4295.7	Standard non polar	33892256
Folinic acid,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	5712.2	Standard polar	33892256
Folinic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4428.2	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4306.1	Standard non polar	33892256
Folinic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	5931.3	Standard polar	33892256
Folinic acid,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4377.1	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4266.5	Standard non polar	33892256
Folinic acid,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	5608.8	Standard polar	33892256
Folinic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4394.7	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4253.6	Standard non polar	33892256
Folinic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	5693.3	Standard polar	33892256
Folinic acid,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4487.7	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4260.2	Standard non polar	33892256
Folinic acid,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	5821.8	Standard polar	33892256
Folinic acid,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	4443.0	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	4373.6	Standard non polar	33892256
Folinic acid,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	5665.5	Standard polar	33892256
Folinic acid,5TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4398.2	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4224.5	Standard non polar	33892256
Folinic acid,5TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5671.8	Standard polar	33892256
Folinic acid,5TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4355.3	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4264.6	Standard non polar	33892256
Folinic acid,5TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	5778.0	Standard polar	33892256
Folinic acid,5TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4413.2	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4153.9	Standard non polar	33892256
Folinic acid,5TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5994.9	Standard polar	33892256
Folinic acid,5TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4295.8	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4147.9	Standard non polar	33892256
Folinic acid,5TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	5728.5	Standard polar	33892256
Folinic acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4238.4	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4137.9	Standard non polar	33892256
Folinic acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6000.3	Standard polar	33892256
Folinic acid,5TMS,isomer #37	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4493.1	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #37	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4404.5	Standard non polar	33892256
Folinic acid,5TMS,isomer #37	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5607.5	Standard polar	33892256
Folinic acid,5TMS,isomer #38	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4395.3	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #38	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4418.1	Standard non polar	33892256
Folinic acid,5TMS,isomer #38	C[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	5702.2	Standard polar	33892256
Folinic acid,5TMS,isomer #39	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4433.7	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #39	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4323.7	Standard non polar	33892256
Folinic acid,5TMS,isomer #39	C[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	5849.9	Standard polar	33892256
Folinic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4516.1	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4245.1	Standard non polar	33892256
Folinic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	5921.8	Standard polar	33892256
Folinic acid,5TMS,isomer #40	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4327.8	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #40	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4323.2	Standard non polar	33892256
Folinic acid,5TMS,isomer #40	C[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	5637.4	Standard polar	33892256
Folinic acid,5TMS,isomer #41	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4373.3	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #41	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4279.8	Standard non polar	33892256
Folinic acid,5TMS,isomer #41	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5697.0	Standard polar	33892256
Folinic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4387.7	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4227.8	Standard non polar	33892256
Folinic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	5758.1	Standard polar	33892256
Folinic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4459.4	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4083.5	Standard non polar	33892256
Folinic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5995.8	Standard polar	33892256
Folinic acid,5TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4444.5	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4158.8	Standard non polar	33892256
Folinic acid,5TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6095.2	Standard polar	33892256
Folinic acid,5TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4340.7	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4098.9	Standard non polar	33892256
Folinic acid,5TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	5715.3	Standard polar	33892256
Folinic acid,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	4316.2	Semi standard non polar	33892256
Folinic acid,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	4155.3	Standard non polar	33892256
Folinic acid,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	5809.7	Standard polar	33892256
Folinic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O	5094.8	Semi standard non polar	33892256
Folinic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1	5057.3	Semi standard non polar	33892256
Folinic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)[NH]1	5161.3	Semi standard non polar	33892256
Folinic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N)=NC2=O	4973.7	Semi standard non polar	33892256
Folinic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5038.2	Semi standard non polar	33892256
Folinic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	5031.0	Semi standard non polar	33892256
Folinic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N1C(N)=NC(=O)C2=C1NC[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)N2C=O	4956.2	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5137.9	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1	5001.4	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1	5061.6	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)[NH]1)[Si](C)(C)C(C)(C)C	5228.8	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5188.8	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)N2C=O	5100.0	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	5187.2	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5182.8	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4974.6	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N)=NC2=O	4946.7	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4971.5	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)N2C=O)[NH]1	5211.3	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5019.2	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	5018.4	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	5016.2	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5077.7	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5085.6	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O	5013.4	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O	5081.9	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5197.9	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5074.2	Semi standard non polar	33892256
Folinic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	5062.6	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5231.2	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	4806.9	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	6582.4	Standard polar	33892256
Folinic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5184.2	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	4825.9	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	6593.8	Standard polar	33892256
Folinic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5047.0	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4643.6	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6384.1	Standard polar	33892256
Folinic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4969.6	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4683.1	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6435.2	Standard polar	33892256
Folinic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5084.3	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4719.7	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6586.2	Standard polar	33892256
Folinic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5014.5	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4694.5	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	6388.1	Standard polar	33892256
Folinic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5112.2	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4732.8	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	6533.1	Standard polar	33892256
Folinic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O	5064.7	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O	4798.7	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O	6545.5	Standard polar	33892256
Folinic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1	5251.1	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1	4909.1	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1	6406.2	Standard polar	33892256
Folinic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5242.9	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	4878.1	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	6502.0	Standard polar	33892256
Folinic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C1)N2C=O	5122.1	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C1)N2C=O	4834.3	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C1)N2C=O	6381.1	Standard polar	33892256
Folinic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5113.0	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4645.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6478.0	Standard polar	33892256
Folinic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	5204.2	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	4800.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	6508.8	Standard polar	33892256
Folinic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5180.4	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	4815.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	6576.5	Standard polar	33892256
Folinic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5041.8	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4630.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6361.5	Standard polar	33892256
Folinic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4971.2	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4656.4	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6414.0	Standard polar	33892256
Folinic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5084.1	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4694.1	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6564.4	Standard polar	33892256
Folinic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	5001.2	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	4655.2	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	6341.0	Standard polar	33892256
Folinic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	5096.4	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	4690.3	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	6485.0	Standard polar	33892256
Folinic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1	5046.7	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1	4757.7	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1	6498.3	Standard polar	33892256
Folinic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5302.6	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5004.4	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6431.8	Standard polar	33892256
Folinic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	5178.0	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4953.2	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	6295.7	Standard polar	33892256
Folinic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5098.3	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4636.4	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C[C@H]2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6403.5	Standard polar	33892256
Folinic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5275.8	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4931.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	6355.7	Standard polar	33892256
Folinic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	5214.7	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	4915.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)[C@@H](CCC(=O)O)C(=O)O	6412.1	Standard polar	33892256
Folinic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5180.7	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	4962.3	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)C[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	6328.5	Standard polar	33892256
Folinic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)N1[Si](C)(C)C(C)(C)C	5258.4	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)N1[Si](C)(C)C(C)(C)C	4896.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)N1[Si](C)(C)C(C)(C)C	6455.0	Standard polar	33892256
Folinic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5201.2	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	4889.4	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	6509.9	Standard polar	33892256
Folinic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N2C=O	5148.9	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N2C=O	4849.6	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CN(C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N2C=O	6343.1	Standard polar	33892256
Folinic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1)N2C=O	5086.2	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1)N2C=O	4845.8	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1)N2C=O	6393.4	Standard polar	33892256
Folinic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	5189.1	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	4813.4	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	6509.6	Standard polar	33892256
Folinic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5073.9	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4775.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	6437.0	Standard polar	33892256
Folinic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4961.4	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4665.1	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(C[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	6328.0	Standard polar	33892256
Folinic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5012.9	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4684.4	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6453.2	Standard polar	33892256
Folinic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	5018.8	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4755.3	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N1C[C@H](CNC2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	6490.9	Standard polar	33892256
Folinic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	5043.1	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4709.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(C[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	6476.9	Standard polar	33892256
Folinic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5145.5	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4715.6	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6601.4	Standard polar	33892256
Folinic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	5280.4	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4944.4	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	6448.9	Standard polar	33892256
Folinic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5260.9	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	4902.7	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	6541.3	Standard polar	33892256
Folinic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1)N2C=O	5136.4	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1)N2C=O	4870.0	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@H](CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1)N2C=O	6420.5	Standard polar	33892256
Folinic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	5221.3	Semi standard non polar	33892256
Folinic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	4831.6	Standard non polar	33892256
Folinic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	6550.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Folinic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 10V, Positive-QTOF	splash10-0adi-0031900000-15cbae867ecd4a003ef0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 20V, Positive-QTOF	splash10-0a6r-0393400000-73f11f6c59198eafb45f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 40V, Positive-QTOF	splash10-0pb9-0591000000-ea5c6303d77ffa4af0cb	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 10V, Negative-QTOF	splash10-00di-0000900000-a3ae54a4d9b2cae45b72	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 20V, Negative-QTOF	splash10-00bc-1243900000-4ea7b3b1902e6a1204e5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 40V, Negative-QTOF	splash10-0007-7973000000-df3edd5bd8661611dd06	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 10V, Positive-QTOF	splash10-00fr-0005900000-5985bdc6c069ecc00046	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 20V, Positive-QTOF	splash10-056s-1597400000-db859aadd61942f2e80b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 40V, Positive-QTOF	splash10-05o0-0921000000-ddf359b6fc3776d45401	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 10V, Negative-QTOF	splash10-004i-0000900000-56bf354a786254d088f4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 20V, Negative-QTOF	splash10-0fb9-1220900000-d93259006e38248d26b4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folinic acid 40V, Negative-QTOF	splash10-0f6x-5920100000-575460bfef119781af80	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Bladder
Fibroblasts
Pancreas
Testis

Pathways

Name	SMPDB/PathBank	KEGG
One carbon pool by folate	Not Available
Methylenetetrahydrofolate Reductase Deficiency (MTHFRD)		Not Available
Methotrexate Action Pathway		Not Available
Folate malabsorption, hereditary		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.0025 +/- 0.0036 uM	Adult (>18 years old)	Both	Normal	17272488	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Asthma	33739820	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB11596

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Folinic acid

METLIN ID

Not Available

PubChem Compound

149436

PDB ID

Not Available

ChEBI ID

63606

Food Biomarker Ontology

Not Available

VMH ID

5FTHF

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Zakrzewski, Sigmund F.; Sansone, Annette M. Preparation of folinic acid (N5-formyltetrahydro folic acid). Methods Enzymol. (1971), 18(Pt. B), 731-3.

Material Safety Data Sheet (MSDS)

Not Available

General References

Perry TL, Applegarth DA, Evans ME, Hansen S, Jellum E: Metabolic studies of a family with massive formiminoglutamic aciduria. Pediatr Res. 1975 Mar;9(3):117-22. [PubMed:235753 ]
Garbis SD, Melse-Boonstra A, West CE, van Breemen RB: Determination of folates in human plasma using hydrophilic interaction chromatography-tandem mass spectrometry. Anal Chem. 2001 Nov 15;73(22):5358-64. [PubMed:11816560 ]
Straw JA, Szapary D, Wynn WT: Pharmacokinetics of the diastereoisomers of leucovorin after intravenous and oral administration to normal subjects. Cancer Res. 1984 Jul;44(7):3114-9. [PubMed:6609768 ]
Micke O, Bruns F, Schafer U, Kurowski R, Horst E, Willich N: CA 19-9 in the therapy monitoring and follow-up of locally advanced cancer of the exocrine pancreas treated with radiochemotherapy. Anticancer Res. 2003 Mar-Apr;23(2A):835-40. [PubMed:12820309 ]
Pfeiffer CM, Fazili Z, McCoy L, Zhang M, Gunter EW: Determination of folate vitamers in human serum by stable-isotope-dilution tandem mass spectrometry and comparison with radioassay and microbiologic assay. Clin Chem. 2004 Feb;50(2):423-32. Epub 2003 Dec 11. [PubMed:14670827 ]
Karakayali FY, Bayar S, Hazinedaroglu S, Sahin F, Karayalcin K: Does folinic acid have a choleretic effect on humans? Turk J Gastroenterol. 2003 Jun;14(2):102-5. [PubMed:14614635 ]
Pineda M, Ormazabal A, Lopez-Gallardo E, Nascimento A, Solano A, Herrero MD, Vilaseca MA, Briones P, Ibanez L, Montoya J, Artuch R: Cerebral folate deficiency and leukoencephalopathy caused by a mitochondrial DNA deletion. Ann Neurol. 2006 Feb;59(2):394-8. [PubMed:16365882 ]
Birmingham BK, Greene DS: Analysis of folinic acid in human serum using high-performance liquid chromatography with amperometric detection. J Pharm Sci. 1983 Nov;72(11):1306-9. [PubMed:6606033 ]
Sengelov L, von der Maase H, Lundbeck F, Barlebo H, Colstrup H, Engelholm SA, Krarup T, Madsen EL, Meyhoff HH, Mommsen S, Nielsen OS, Pedersen D, Steven K, Sorensen B: Neoadjuvant chemotherapy with cisplatin and methotrexate in patients with muscle-invasive bladder tumours. Acta Oncol. 2002;41(5):447-56. [PubMed:12442921 ]
Bunni MA, Priest DG: Human red blood cell-mediated metabolism of leucovorin [(R,S)5-formyltetrahydrofolate]. Arch Biochem Biophys. 1991 May 1;286(2):633-7. [PubMed:1897982 ]
Ramaekers VT, Hausler M, Opladen T, Heimann G, Blau N: Psychomotor retardation, spastic paraplegia, cerebellar ataxia and dyskinesia associated with low 5-methyltetrahydrofolate in cerebrospinal fluid: a novel neurometabolic condition responding to folinic acid substitution. Neuropediatrics. 2002 Dec;33(6):301-8. [PubMed:12571785 ]
Zhu WY, Alliegro MA, Melera PW: The rate of folate receptor alpha (FR alpha) synthesis in folate depleted CHL cells is regulated by a translational mechanism sensitive to media folate levels, while stable overexpression of its mRNA is mediated by gene amplification and an increase in transcript half-life. J Cell Biochem. 2001 Mar 26;81(2):205-19. [PubMed:11241661 ]
Jansman FG, Coenen JL, De Graaf JC, Tobi H, Sleijfer DT, Brouwers JR: Relationship between pharmacokinetics of 5-FU in plasma and in saliva, and toxicity of 5-fluorouracil/folinic acid. Anticancer Res. 2002 Nov-Dec;22(6B):3449-55. [PubMed:12552938 ]
Vimercati A, Greco P, D'Apolito A, Angelici MC, Possenti A, Carbonara S, Selvaggi L: [Risk assessment of vertical transmission of Toxoplasma infections]. Acta Biomed Ateneo Parmense. 2000;71 Suppl 1:537-40. [PubMed:11424802 ]
Joulia JM, Pinguet F, Ychou M, Duffour J, Astre C, Bressolle F: Plasma and salivary pharmacokinetics of 5-fluorouracil (5-FU) in patients with metastatic colorectal cancer receiving 5-FU bolus plus continuous infusion with high-dose folinic acid. Eur J Cancer. 1999 Feb;35(2):296-301. [PubMed:10448274 ]
Polyzos A, Kouraklis G, Giannopoulos A, Bramis J, Delladetsima JK, Sfikakis PP: Irinotecan as salvage chemotherapy for advanced small bowel adenocarcinoma: a series of three patients. J Chemother. 2003 Oct;15(5):503-6. [PubMed:14598944 ]
Micke O, Hesselmann S, Bruns F, Horst E, Devries A, Schuller P, Willich N, Schafer U: Results and follow-up of locally advanced cancer of the exocrine pancreas treated with radiochemotherapy. Anticancer Res. 2005 May-Jun;25(3A):1523-30. [PubMed:16033054 ]
Bentivoglio G, Melica F, Cristoforoni P: Folinic acid in the treatment of human male infertility. Fertil Steril. 1993 Oct;60(4):698-701. [PubMed:8405528 ]
Kajiyama Y, Tsurumaru M, Udagawa H, Tsutsumi K, Kinoshita Y, Akiyama H: Relief of jaundice by 5-fluorouracil and folinic acid in patients with recurrent gastric cancer. Surg Oncol. 1996 Aug;5(4):177-81. [PubMed:9067566 ]
Jardine LF, Ingram LC, Bleyer WA: Intrathecal leucovorin after intrathecal methotrexate overdose. J Pediatr Hematol Oncol. 1996 Aug;18(3):302-4. [PubMed:8689347 ]

Enzymes

Enzyme Details

1. Formimidoyltransferase-cyclodeaminase

General function:: Involved in catalytic activity
Specific function:: Folate-dependent enzyme, that displays both transferase and deaminase activity. Serves to channel one-carbon units from formiminoglutamate to the folate pool. Binds and promotes bundling of vimentin filaments originating from the Golgi (By similarity).
Gene Name:: FTCD
Uniprot ID:: O95954
Molecular weight:: 58925.93

Reactions

Folinic acid + L-Glutamic acid → Tetrahydrofolic acid + N-Formyl-L-glutamic acid	details
Folinic acid + L-Glutamic acid → Tetrahydrofolic acid + N-Formyl-L-glutamic acid	details

Enzyme Details

2. Aminomethyltransferase, mitochondrial

General function:: Involved in aminomethyltransferase activity
Specific function:: The glycine cleavage system catalyzes the degradation of glycine.
Gene Name:: AMT
Uniprot ID:: P48728
Molecular weight:: 43945.65

Reactions

Folinic acid → 5,10-Methenyltetrahydrofolic acid + Water	details

Enzyme Details

3. 5-formyltetrahydrofolate cyclo-ligase

General function:: Involved in ATP binding
Specific function:: Contributes to tetrahydrofolate metabolism. Helps regulate carbon flow through the folate-dependent one-carbon metabolic network that supplies carbon for the biosynthesis of purines, thymidine and amino acids.
Gene Name:: MTHFS
Uniprot ID:: P49914
Molecular weight:: 16813.995

Reactions

Adenosine triphosphate + Folinic acid → ADP + Phosphate + 5,10-Methenyltetrahydrofolic acid	details
Adenosine triphosphate + Folinic acid + Hydrogen Ion → ADP + Phosphate + 5,10-Methenyltetrahydrofolic acid	details

Enzyme Details

4. Thymidylate synthase

General function:: Involved in thymidylate synthase activity
Specific function:: Contributes to the de novo mitochondrial thymidylate biosynthesis pathway.
Gene Name:: TYMS
Uniprot ID:: P04818
Molecular weight:: 35715.65

References

Aschele C, Debernardis D, Bandelloni R, Cascinu S, Catalano V, Giordani P, Barni S, Turci D, Drudi G, Lonardi S, Gallo L, Maley F, Monfardini S: Thymidylate synthase protein expression in colorectal cancer metastases predicts for clinical outcome to leucovorin-modulated bolus or infusional 5-fluorouracil but not methotrexate-modulated bolus 5-fluorouracil. Ann Oncol. 2002 Dec;13(12):1882-92. [PubMed:12453856 ]
Zhu AX, Puchalski TA, Stanton VP Jr, Ryan DP, Clark JW, Nesbitt S, Charlat O, Kelly P, Kreconus E, Chabner BA, Supko JG: Dihydropyrimidine dehydrogenase and thymidylate synthase polymorphisms and their association with 5-fluorouracil/leucovorin chemotherapy in colorectal cancer. Clin Colorectal Cancer. 2004 Feb;3(4):225-34. [PubMed:15025795 ]
Smorenburg CH, Peters GJ, van Groeningen CJ, Noordhuis P, Smid K, van Riel AM, Dercksen W, Pinedo HM, Giaccone G: Phase II study of tailored chemotherapy for advanced colorectal cancer with either 5-fluouracil and leucovorin or oxaliplatin and irinotecan based on the expression of thymidylate synthase and dihydropyrimidine dehydrogenase. Ann Oncol. 2006 Jan;17(1):35-42. Epub 2005 Oct 26. [PubMed:16251201 ]
Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]

Transporters

Enzyme Details

1. Canalicular multispecific organic anion transporter 1

General function:: Involved in ATP binding
Specific function:: Mediates hepatobiliary excretion of numerous organic anions. May function as a cellular cisplatin transporter
Gene Name:: ABCC2
Uniprot ID:: Q92887
Molecular weight:: 174205.6

References

Horikawa M, Kato Y, Tyson CA, Sugiyama Y: The potential for an interaction between MRP2 (ABCC2) and various therapeutic agents: probenecid as a candidate inhibitor of the biliary excretion of irinotecan metabolites. Drug Metab Pharmacokinet. 2002;17(1):23-33. [PubMed:15618649 ]
Chen ZS, Robey RW, Belinsky MG, Shchaveleva I, Ren XQ, Sugimoto Y, Ross DD, Bates SE, Kruh GD: Transport of methotrexate, methotrexate polyglutamates, and 17beta-estradiol 17-(beta-D-glucuronide) by ABCG2: effects of acquired mutations at R482 on methotrexate transport. Cancer Res. 2003 Jul 15;63(14):4048-54. [PubMed:12874005 ]

Enzyme Details

2. Canalicular multispecific organic anion transporter 2

General function:: Involved in ATP binding
Specific function:: May act as an inducible transporter in the biliary and intestinal excretion of organic anions. Acts as an alternative route for the export of bile acids and glucuronides from cholestatic hepatocytes
Gene Name:: ABCC3
Uniprot ID:: O15438
Molecular weight:: 169341.1

References

Zeng H, Chen ZS, Belinsky MG, Rea PA, Kruh GD: Transport of methotrexate (MTX) and folates by multidrug resistance protein (MRP) 3 and MRP1: effect of polyglutamylation on MTX transport. Cancer Res. 2001 Oct 1;61(19):7225-32. [PubMed:11585759 ]
Chen ZS, Robey RW, Belinsky MG, Shchaveleva I, Ren XQ, Sugimoto Y, Ross DD, Bates SE, Kruh GD: Transport of methotrexate, methotrexate polyglutamates, and 17beta-estradiol 17-(beta-D-glucuronide) by ABCG2: effects of acquired mutations at R482 on methotrexate transport. Cancer Res. 2003 Jul 15;63(14):4048-54. [PubMed:12874005 ]

Enzyme Details

3. Multidrug resistance-associated protein 4

General function:: Involved in ATP binding
Specific function:: May be an organic anion pump relevant to cellular detoxification
Gene Name:: ABCC4
Uniprot ID:: O15439
Molecular weight:: 149525.3

References

Chen ZS, Lee K, Walther S, Raftogianis RB, Kuwano M, Zeng H, Kruh GD: Analysis of methotrexate and folate transport by multidrug resistance protein 4 (ABCC4): MRP4 is a component of the methotrexate efflux system. Cancer Res. 2002 Jun 1;62(11):3144-50. [PubMed:12036927 ]

Showing metabocard for Folinic acid (HMDB0001562)

MOL for HMDB0001562 (Folinic acid)

3D MOL for HMDB0001562 (Folinic acid)

3D SDF for HMDB0001562 (Folinic acid)

3D-SDF for HMDB0001562 (Folinic acid)

PDB for HMDB0001562 (Folinic acid)

3D PDB for HMDB0001562 (Folinic acid)

SMILES for HMDB0001562 (Folinic acid)

INCHI for HMDB0001562 (Folinic acid)

Structure for HMDB0001562 (Folinic acid)

3D Structure for HMDB0001562 (Folinic acid)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions

References

Transporters

References

References

References