| Properties | Image |
|---|
| MNX_ID | MNXM527534 |
 |
| reference | chebi:75777 |
| formula | C22H22O12 |
| global charge | 0 |
| mol weight | 478.406 |
| InChIKey | CQLRUIIRRZYHHS-VRUXIHJPSA-N |
| InChI | InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m0/s1 |
| SMILES | COC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)C(=O)C3=C(C=C(O)C=C3O)O2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:31][C:12]1=[C:10]([OH:25])[CH:3]=[CH:2][C:8]([C:20]2=[C:21]([O:34][C@@H:22]3[C@@H:19]([OH:30])[C@H:18]([OH:29])[C@H:16]([OH:27])[C@H:14]([CH2:7][OH:23])[O:33]3)[C:17](=[O:28])[C:15]3=[C:11]([OH:26])[CH:5]=[C:9]([OH:24])[CH:6]=[C:13]3[O:32]2)=[CH:4]1 |
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