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(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol

MNXM164384 is deprecated and replaced by MNXM13488

Properties

Image

Occurences in reactions

MNX_ID

MNXM13488

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	3

formula

C₂₀H₁₈O₃

charge

mass

306.12559

reference

InChIKey

SZIWZGXOWBSPTO-ZGXWSNOMSA-N

InChI

InChI=1S/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3/t17-,18+,19-,20+/m0/s1

SMILES

Cc1c2ccccc2c(C)c2c3c(ccc12)[C@H](O)[C@@H](O)[C@H]1O[C@@H]31

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd20813 seedM:cpd20813 CHEBI:82558 chebi:82558 kegg.compound:C19559 keggC:C19559	(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
hmdb:HMDB0062223	(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol (1Aalpha,2b,3a,11calpha)-1a,2,3,11C-tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol (1Aalpha,2beta,3alpha,11calpha)-1a,2,3,11C-tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol (3S,5R,6R,7S)-12,19-dimethyl-4-oxapentacyclo[9.8.0.0^{2,8}.0^{3,5}.0^{13,18}]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
bigg.metabolite:CN0023 biggM:CN0023	7,12-Dimethylbenz[a]anthracene-3,4-diol-1,2-epoxide
hmdb:HMDB62223 biggM:M_CN0023 keggC:M_C19559 seedM:M_cpd20813	secondary/obsolete/fantasy identifier