| Properties | Image | Occurences in reactions |
MNX_ID | MNXM165543 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
1 |
|
formula | C22H31O5 |
charge | -1 |
mass | 375.2177 |
reference | biggM:CE6465 |
InChIKey | WGWLXYZABPWUEU-AZEUNIAMSA-M |
InChI | InChI=1S/C22H32O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-20,23-24H,2,4,10-13,16H2,1H3,(H,26,27)/p-1/b7-5-,8-3-,9-6-,15-14+/t17?,18-,19+,20?/m0/s1 |
SMILES | CC/C=C\CC(O)/C=C/[C@H]1C(=O)CC(O)[C@H]1C/C=C\C/C=C\CCC(=O)[O-] |
|