| Properties | Image |
|---|
| MNX_ID | MNXM101868 |
 |
| reference | chebi:67938 |
| formula | C28H32O17 |
| global charge | 0 |
| mol weight | 640.547 |
| InChIKey | XEHNPVYZNPRTMA-GZKNRDGBSA-N |
| InChI | InChI=1S/C28H32O17/c1-40-26-20(35)17-12(32)5-10(41-27-23(38)21(36)18(33)15(7-29)44-27)6-14(17)42-25(26)9-2-3-13(11(31)4-9)43-28-24(39)22(37)19(34)16(8-30)45-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28-/m1/s1 |
| SMILES | COC1=C(C2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C2)OC2=C(C1=O)C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C28H32O17/c1-40-26-20(35)17-12(32)5-10(41-27-23(38)21(36)18(33)15(7-29)44-27)6-14(17)42-25(26)9-2-3-13(11(31)4-9)43-28-24(39)22(37)19(34)16(8-30)45-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:40][C:26]1=[C:25]([C:9]2=[CH:4][C:11]([OH:31])=[C:13]([O:43][C@H:28]3[C@H:24]([OH:39])[C@@H:22]([OH:37])[C@H:19]([OH:34])[C@@H:16]([CH2:8][OH:30])[O:45]3)[CH:3]=[CH:2]2)[O:42][C:14]2=[CH:6][C:10]([O:41][C@H:27]3[C@H:23]([OH:38])[C@@H:21]([OH:36])[C@H:18]([OH:33])[C@@H:15]([CH2:7][OH:29])[O:44]3)=[CH:5][C:12]([OH:32])=[C:17]2[C:20]1=[O:35] |
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