| Properties | Image |
|---|
| MNX_ID | MNXM156975 |
 |
| reference | chebi:75797 |
| formula | C21H20O11 |
| global charge | 0 |
| mol weight | 448.38 |
| InChIKey | JPUKWEQWGBDDQB-YSBXYMAXSA-N |
| InChI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21-/m0/s1 |
| SMILES | O=C1C(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:23])=[CH:4][CH:2]=[C:8]1[C:19]1=[C:20]([O:32][C@H:21]2[C@@H:18]([OH:29])[C@H:17]([OH:28])[C@@H:15]([OH:26])[C@H:13]([CH2:7][OH:22])[O:31]2)[C:16](=[O:27])[C:14]2=[C:11]([OH:25])[CH:5]=[C:10]([OH:24])[CH:6]=[C:12]2[O:30]1 |
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