| Properties | Image |
|---|
| MNX_ID | MNXM732305 |
 |
| reference | seedM:cpd15021 |
| formula | C27H30O15 |
| global charge | 0 |
| mol weight | 594.522 |
| InChIKey | JRTPVVICZPPYCU-WGNLCONDSA-N |
| InChI | InChI=1S/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-31,33-37H,8-9H2/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1 |
| SMILES | O=C1C=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C12 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-31,33-37H,8-9H2/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:30])=[CH:4][CH:2]=[C:10]1[C:24]1=[C:16]([O:39][C@H:27]2[C@H:25]([O:42][C@H:26]3[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@H:19]([OH:33])[C@@H:17]([CH2:8][OH:28])[O:40]3)[C@@H:22]([OH:36])[C@H:20]([OH:34])[C@@H:18]([CH2:9][OH:29])[O:41]2)[CH:7]=[C:13]2[C:14](=[O:32])[CH:5]=[C:12]([OH:31])[CH:6]=[C:15]2[O:38]1 |
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