| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1377387 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C20H29O5 |
charge | -1 |
mass | 349.447 |
reference | metacycM:CPD-24258 |
InChIKey | KMQGFEBCBYXSPZ-XCDLQTDGSA-M |
InChI | InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,13-9+,14-10+ |
SMILES | [CH3:1][CH2:2][CH2:3][CH2:8][CH2:12][C:17](/[CH:13]=[CH:9]/[CH:6]=[CH:4]\[CH:5]=[CH:7]\[CH:10]=[CH:14]\[CH:18]([CH:19]([CH2:15][CH2:11][CH2:16][C:20](=[O:24])[OH:25])[OH:23])[OH:22])=[O:21] |
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