| Properties | Image |
|---|
| MNX_ID | MNXM107425 |
 |
| reference | chebi:67936 |
| formula | C22H20O12 |
| global charge | 0 |
| mol weight | 476.39 |
| InChIKey | ZBYBUYZJKQWRDO-FSFQXNNFSA-N |
| InChI | InChI=1S/C22H20O12/c23-5-13-16(27)18(29)19(30)22(34-13)32-7-3-11(25)14-12(4-7)33-20-8-1-2-10(24)15(26)9(8)6-31-21(20)17(14)28/h1-4,13,16,18-19,22-27,29-30H,5-6H2/t13-,16-,18+,19-,22-/m1/s1 |
| SMILES | O=C1C2=C(OC3=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C3)C1=CC=C(O)C(O)=C1CO2 |
MNX internals
| InChI (mnx) | InChI=1/C22H20O12/c23-5-13-16(27)18(29)19(30)22(34-13)32-7-3-11(25)14-12(4-7)33-20-8-1-2-10(24)15(26)9(8)6-31-21(20)17(14)28/h1-4,13,16,18-19,22-27,29-30H,5-6H2/t13-,16-,18+,19-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([OH:24])=[C:15]([OH:26])[C:9]2=[C:8]1[C:20]1=[C:21]([C:17](=[O:28])[C:14]3=[C:11]([OH:25])[CH:3]=[C:7]([O:32][C@H:22]4[C@H:19]([OH:30])[C@@H:18]([OH:29])[C@H:16]([OH:27])[C@@H:13]([CH2:5][OH:23])[O:34]4)[CH:4]=[C:12]3[O:33]1)[O:31][CH2:6]2 |
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