| Properties | Image |
|---|
| MNX_ID | MNXM113988 |
 |
| reference | chebi:70048 |
| formula | C25H36O8 |
| global charge | 0 |
| mol weight | 464.555 |
| InChIKey | GQECNZJTMLRIAM-DWRPHZCTSA-N |
| InChI | InChI=1S/C25H36O8/c1-5-25(4)10-8-12-13-7-6-9-24(2,3)16(13)18(28)21(15(12)22(25)31)33-23-20(30)19(29)17(27)14(11-26)32-23/h5,14,17,19-20,22-23,26-31H,1,6-11H2,2-4H3/t14-,17-,19+,20-,22-,23-,25+/m1/s1 |
| SMILES | C=C[C@@]1(C)CCC2=C(C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C3=C2CCCC3(C)C)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H36O8/c1-5-25(4)10-8-12-13-7-6-9-24(2,3)16(13)18(28)21(15(12)22(25)31)33-23-20(30)19(29)17(27)14(11-26)32-23/h5,14,17,19-20,22-23,26-31H,1,6-11H2,2-4H3/t14-,17-,19+,20-,22-,23-,25+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:5][C@@:25]1([CH3:4])[CH2:10][CH2:8][C:12]2=[C:15]([C:21]([O:33][C@@H:23]3[C@H:20]([OH:30])[C@@H:19]([OH:29])[C@H:17]([OH:27])[C@@H:14]([CH2:11][OH:26])[O:32]3)=[C:18]([OH:28])[C:16]3=[C:13]2[CH2:7][CH2:6][CH2:9][C:24]3([CH3:2])[CH3:3])[C@H:22]1[OH:31] |
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