| Properties | Image |
|---|
| MNX_ID | MNXM1128951 |
 |
| reference | chebi:167827 |
| formula | C22H22O12 |
| global charge | 0 |
| mol weight | 478.406 |
| InChIKey | NAQNISJXKDSYJD-DHWIRCOFSA-N |
| InChI | InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1 |
| SMILES | COC1=C(O)C=C(C2=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(=O)C3=C(C=C(O)C=C3O)O2)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]1[C@H:15]([OH:27])[C@@H:17]([OH:29])[C@@H:18]([OH:30])[C@H:22]([O:34][C:21]2=[C:19]([C:8]3=[CH:3][C:11]([OH:25])=[C:20]([O:31][CH3:2])[C:12]([OH:26])=[CH:4]3)[O:33][C:13]3=[CH:6][C:9]([OH:23])=[CH:5][C:10]([OH:24])=[C:14]3[C:16]2=[O:28])[O:32]1 |
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