| Properties | Image |
|---|
| MNX_ID | MNXM108577 |
 |
| reference | chebi:70144 |
| formula | C32H32O13 |
| global charge | 0 |
| mol weight | 624.595 |
| InChIKey | VZMAYTGBKKDAOI-KNPJAZBNSA-N |
| InChI | InChI=1S/C32H32O13/c1-40-22-9-11-24(34)18(15-22)3-13-27(36)42-17-26-29(38)30(39)31(32(44-26)43-21-7-5-20(33)6-8-21)45-28(37)14-4-19-16-23(41-2)10-12-25(19)35/h3-16,26,29-35,38-39H,17H2,1-2H3/b13-3-,14-4-/t26-,29-,30+,31-,32-/m1/s1 |
| SMILES | COC1=CC(/C=C\C(=O)OC[C@H]2O[C@@H](OC3=CC=C(O)C=C3)[C@H](OC(=O)/C=C\C3=C(O)C=CC(OC)=C3)[C@@H](O)[C@@H]2O)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H32O13/c1-40-22-9-11-24(34)18(15-22)3-13-27(36)42-17-26-29(38)30(39)31(32(44-26)43-21-7-5-20(33)6-8-21)45-28(37)14-4-19-16-23(41-2)10-12-25(19)35/h3-16,26,29-35,38-39H,17H2,1-2H3/b13-3-,14-4-/t26-,29-,30+,31-,32-/m1/s1 |
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| SMILES (mnx) | [CH3:1][O:40][C:22]1=[CH:15][C:18](/[CH:3]=[CH:13]\[C:27](=[O:36])[O:42][CH2:17][C@@H:26]2[C@@H:29]([OH:38])[C@H:30]([OH:39])[C@@H:31]([O:45][C:28](/[CH:14]=[CH:4]\[C:19]3=[C:25]([OH:35])[CH:12]=[CH:10][C:23]([O:41][CH3:2])=[CH:16]3)=[O:37])[C@H:32]([O:43][C:21]3=[CH:8][CH:6]=[C:20]([OH:33])[CH:5]=[CH:7]3)[O:44]2)=[C:24]([OH:34])[CH:11]=[CH:9]1 |
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