| Properties | Image |
|---|
| MNX_ID | MNXM104070 |
 |
| reference | chebi:69856 |
| formula | C23H40O9 |
| global charge | 0 |
| mol weight | 460.564 |
| InChIKey | SNXUZSSJIJDDDP-CQOVOOQLSA-N |
| InChI | InChI=1S/C23H40O9/c1-14(2)7-6-8-15(3)18(27)11-21(32-17(5)26)16(4)9-10-31-23(20(29)13-25)22(30)19(28)12-24/h7,9,15,19-25,28-30H,6,8,10-13H2,1-5H3/b16-9+/t15?,19-,20-,21?,22-,23-/m1/s1 |
| SMILES | CC(=O)OC(CC(=O)C(C)CCC=C(C)C)/C(C)=C/CO[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO |
MNX internals
| InChI (mnx) | InChI=1/C23H40O9/c1-14(2)7-6-8-15(3)18(27)11-21(32-17(5)26)16(4)9-10-31-23(20(29)13-25)22(30)19(28)12-24/h7,9,15,19-25,28-30H,6,8,10-13H2,1-5H3/b16-9+/t15?,19-,20-,21?,22-,23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:7][CH2:6][CH2:8][CH:15]([CH3:3])[C:18]([CH2:11][CH:21](/[C:16]([CH3:4])=[CH:9]/[CH2:10][O:31][C@H:23]([C@@H:20]([CH2:13][OH:25])[OH:29])[C@@H:22]([C@@H:19]([CH2:12][OH:24])[OH:28])[OH:30])[O:32][C:17]([CH3:5])=[O:26])=[O:27] |
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