| Properties | Image |
|---|
| MNX_ID | MNXM113546 |
 |
| reference | chebi:68125 |
| formula | C21H20O10 |
| global charge | 0 |
| mol weight | 432.381 |
| InChIKey | QJVBIFNWYBLVDD-APMKNHDFSA-N |
| InChI | InChI=1S/C21H20O10/c22-8-15-17(25)18(26)19(27)21(31-15)30-13-3-1-2-10-14(29-20(28)16(10)13)7-9-4-5-11(23)12(24)6-9/h1-7,15,17-19,21-27H,8H2/b14-7-/t15-,17-,18+,19-,21-/m1/s1 |
| SMILES | O=C1O/C(=C\C2=CC=C(O)C(O)=C2)C2=C1C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=CC=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O10/c22-8-15-17(25)18(26)19(27)21(31-15)30-13-3-1-2-10-14(29-20(28)16(10)13)7-9-4-5-11(23)12(24)6-9/h1-7,15,17-19,21-27H,8H2/b14-7-/t15-,17-,18+,19-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]2=[C:16]([C:13]([O:30][C@H:21]3[C@H:19]([OH:27])[C@@H:18]([OH:26])[C@H:17]([OH:25])[C@@H:15]([CH2:8][OH:22])[O:31]3)=[CH:3]1)[C:20](=[O:28])[O:29]/[C:14]2=[CH:7]\[C:9]1=[CH:6][C:12]([OH:24])=[C:11]([OH:23])[CH:5]=[CH:4]1 |
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