| Properties | Image |
|---|
| MNX_ID | MNXM108397 |
 |
| reference | chebi:69457 |
| formula | C20H18O11 |
| global charge | 0 |
| mol weight | 434.353 |
| InChIKey | BDCDNTVZSILEOY-FWYGIPPASA-N |
| InChI | InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m1/s1 |
| SMILES | O=C1C(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=CC(O)=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([OH:23])=[C:10]([OH:24])[CH:3]=[C:7]1[C:18]1=[C:19]([O:31][C@@H:20]2[C@@H:17]([OH:28])[C@H:15]([OH:26])[C@@H:13]([CH2:6][OH:21])[O:30]2)[C:16](=[O:27])[C:14]2=[C:11]([OH:25])[CH:4]=[C:8]([OH:22])[CH:5]=[C:12]2[O:29]1 |
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