| Properties | Image |
|---|
| MNX_ID | MNXM102427 |
 |
| reference | chebi:69873 |
| formula | C25H38O7 |
| global charge | 0 |
| mol weight | 450.572 |
| InChIKey | MIOANCGOVTTWSH-DONKYKGPSA-N |
| InChI | InChI=1S/C25H38O7/c1-5-16(2)22(29)32-15-25-19(7-6-9-24(25,30)14-26)23(4,17(3)11-20(25)27)10-8-18-12-21(28)31-13-18/h5,12,17,19-20,26-27,30H,6-11,13-15H2,1-4H3/b16-5+/t17-,19-,20+,23+,24+,25+/m1/s1 |
| SMILES | C/C=C(\C)C(=O)OC[C@@]12[C@H](CCC[C@]1(O)CO)[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)C[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C25H38O7/c1-5-16(2)22(29)32-15-25-19(7-6-9-24(25,30)14-26)23(4,17(3)11-20(25)27)10-8-18-12-21(28)31-13-18/h5,12,17,19-20,26-27,30H,6-11,13-15H2,1-4H3/b16-5+/t17-,19-,20+,23+,24+,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:5]=[C:16](\[CH3:2])[C:22](=[O:29])[O:32][CH2:15][C@@:25]12[C@H:19]([CH2:7][CH2:6][CH2:9][C@@:24]1([CH2:14][OH:26])[OH:30])[C@@:23]([CH3:4])([CH2:10][CH2:8][C:18]1=[CH:12][C:21](=[O:28])[O:31][CH2:13]1)[C@H:17]([CH3:3])[CH2:11][C@@H:20]2[OH:27] |
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