| Properties | Image |
|---|
| MNX_ID | MNXM105619 |
 |
| reference | chebi:68138 |
| formula | C21H22O9 |
| global charge | 0 |
| mol weight | 418.398 |
| InChIKey | VDDNWQMEDCJRQC-VRKGAULQSA-N |
| InChI | InChI=1S/C21H22O9/c22-9-15-17(24)18(25)19(26)21(30-15)28-12-6-4-10(5-7-12)14-8-11-2-1-3-13(23)16(11)20(27)29-14/h1-7,14-15,17-19,21-26H,8-9H2/t14?,15-,17-,18+,19-,21-/m1/s1 |
| SMILES | O=C1OC(C2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)CC2=C1C(O)=CC=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H22O9/c22-9-15-17(24)18(25)19(26)21(30-15)28-12-6-4-10(5-7-12)14-8-11-2-1-3-13(23)16(11)20(27)29-14/h1-7,14-15,17-19,21-26H,8-9H2/t14?,15-,17-,18+,19-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]2=[C:16]([C:13]([OH:23])=[CH:3]1)[C:20](=[O:27])[O:29][CH:14]([C:10]1=[CH:5][CH:7]=[C:12]([O:28][C@H:21]3[C@H:19]([OH:26])[C@@H:18]([OH:25])[C@H:17]([OH:24])[C@@H:15]([CH2:9][OH:22])[O:30]3)[CH:6]=[CH:4]1)[CH2:8]2 |
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