| Properties | Image |
|---|
| MNX_ID | MNXM1364794 |
 |
| reference | seedM:cpd23517 |
| formula | C21H21O11 |
| global charge | -1 |
| mol weight | 449.388 |
| InChIKey | FJGLKTUVHMIZAE-VJXVFPJBSA-M |
| InChI | InChI=1S/C21H22O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)11(25)5-10(24)8-1-3-9(23)4-2-8/h1-6,14,17,19-24,26-31H,7H2/p-1/t14-,17-,19+,20-,21+/m1/s1 |
| SMILES | O=C(C=C([O-])C1=CC=C(O)C=C1)C1=C(O)C=C(O)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C21H22O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)11(25)5-10(24)8-1-3-9(23)4-2-8/h1-6,14,17,19-24,26-31H,7H2/b10-5?/t14-,17-,19+,20-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:23])=[CH:4][CH:2]=[C:8]1[C:10](=[CH:5][C:11]([C:15]1=[C:18]([OH:29])[C:16]([C@H:21]2[C@H:20]([OH:31])[C@@H:19]([OH:30])[C@H:17]([OH:28])[C@@H:14]([CH2:7][OH:22])[O:32]2)=[C:13]([OH:27])[CH:6]=[C:12]1[OH:26])=[O:25])[OH:24] |
|