| Properties | Image |
|---|
| MNX_ID | MNXM101755 |
 |
| reference | chebi:65532 |
| formula | C25H30O12 |
| global charge | 0 |
| mol weight | 522.503 |
| InChIKey | ZDBJNNBVIRSCJN-LFVFYYESSA-N |
| InChI | InChI=1S/C25H30O12/c1-9-12-6-14-24-8-34-25(22(32)33-5,19(24)17(21(31)37-14)36-11(3)27)20(30)15(29)18(24)23(12,4)7-13(28)16(9)35-10(2)26/h12,14-15,17-20,29-30H,6-8H2,1-5H3/t12-,14+,15+,17+,18+,19+,20-,23-,24+,25+/m0/s1 |
| SMILES | COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(C)=O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(C)=O)[C@@H]24 |
MNX internals
| InChI (mnx) | InChI=1/C25H30O12/c1-9-12-6-14-24-8-34-25(22(32)33-5,19(24)17(21(31)37-14)36-11(3)27)20(30)15(29)18(24)23(12,4)7-13(28)16(9)35-10(2)26/h12,14-15,17-20,29-30H,6-8H2,1-5H3/t12-,14+,15+,17+,18+,19+,20-,23-,24+,25+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9]1=[C:16]([O:35][C:10]([CH3:2])=[O:26])[C:13](=[O:28])[CH2:7][C@@:23]2([CH3:4])[C@H:12]1[CH2:6][C@@H:14]1[C@@:24]34[CH2:8][O:34][C@:25]([C:22](=[O:32])[O:33][CH3:5])([C@@H:19]3[C@@H:17]([O:36][C:11]([CH3:3])=[O:27])[C:21](=[O:31])[O:37]1)[C@@H:20]([OH:30])[C@H:15]([OH:29])[C@H:18]24 |
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