| Properties | Image |
|---|
| MNX_ID | MNXM102648 |
 |
| reference | chebi:65397 |
| formula | C25H26O9 |
| global charge | 0 |
| mol weight | 470.474 |
| InChIKey | XSVRTNDEOWGZRL-BVLUCXKNSA-N |
| InChI | InChI=1S/C25H26O9/c1-10(2)7-16(28)33-24-22(31)21(30)23(34-25(24)32)17-12-5-4-6-14(26)18(12)20(29)19-13(17)8-11(3)9-15(19)27/h4-9,17,21-27,30-32H,1-3H3/t17-,21+,22+,23-,24+,25+/m0/s1 |
| SMILES | CC(C)=CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H]2C3=CC=CC(O)=C3C(=O)C3=C2C=C(C)C=C3O)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H26O9/c1-10(2)7-16(28)33-24-22(31)21(30)23(34-25(24)32)17-12-5-4-6-14(26)18(12)20(29)19-13(17)8-11(3)9-15(19)27/h4-9,17,21-27,30-32H,1-3H3/t17-,21+,22+,23-,24+,25+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10]([CH3:2])=[CH:7][C:16](=[O:28])[O:33][C@@H:24]1[C@H:22]([OH:31])[C@@H:21]([OH:30])[C@H:23]([C@H:17]2[C:12]3=[C:18]([C:14]([OH:26])=[CH:6][CH:4]=[CH:5]3)[C:20](=[O:29])[C:19]3=[C:13]2[CH:8]=[C:11]([CH3:3])[CH:9]=[C:15]3[OH:27])[O:34][C@H:25]1[OH:32] |
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