| Properties | Image |
|---|
| MNX_ID | MNXM102874 |
 |
| reference | chebi:65454 |
| formula | C21H20O11 |
| global charge | 0 |
| mol weight | 448.38 |
| InChIKey | OEZWCAHAQBRTTP-FKRBRYKNSA-N |
| InChI | InChI=1S/C21H20O11/c22-7-14-17(26)18(27)19(28)21(32-14)30-9-2-4-10(12(24)6-9)15-16(25)11-3-1-8(23)5-13(11)31-20(15)29/h1-6,14,17-19,21-28H,7H2/t14-,17-,18+,19-,21-/m1/s1 |
| SMILES | O=C1OC2=C(C=CC(O)=C2)C(O)=C1C1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O11/c22-7-14-17(26)18(27)19(28)21(32-14)30-9-2-4-10(12(24)6-9)15-16(25)11-3-1-8(23)5-13(11)31-20(15)29/h1-6,14,17-19,21-28H,7H2/t14-,17-,18+,19-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]2=[C:13]([CH:5]=[C:8]1[OH:23])[O:31][C:20](=[O:29])[C:15]([C:10]1=[C:12]([OH:24])[CH:6]=[C:9]([O:30][C@H:21]3[C@H:19]([OH:28])[C@@H:18]([OH:27])[C@H:17]([OH:26])[C@@H:14]([CH2:7][OH:22])[O:32]3)[CH:2]=[CH:4]1)=[C:16]2[OH:25] |
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