| Properties | Image |
|---|
| MNX_ID | MNXM124048 |
 |
| reference | hmdb:HMDB0037984 |
| formula | C20H19O10 |
| global charge | 1 |
| mol weight | 419.362 |
| InChIKey | SBBFXSBQYRSIPP-AJYBTWMASA-O |
| InChI | InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17+,18-,20-/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/t16-,17+,18-,20-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]([OH:23])=[C:13]([O-:25])[CH:3]=[C:8]1[C:19]1=[O+:28][C:14]2=[CH:5][C:9]([OH:22])=[CH:4][C:12]([OH:24])=[C:10]2[CH:6]=[C:15]1[O:29][C@H:20]1[C@H:18]([OH:27])[C@@H:17]([OH:26])[C@@H:16]([CH2:7][OH:21])[O:30]1 |
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