| Properties | Image |
|---|
| MNX_ID | MNXM163891 |
 |
| reference | metacycM:CPD-8013 |
| formula | C21H19O11 |
| global charge | -1 |
| mol weight | 447.372 |
| InChIKey | OXGUCUVFOIWWQJ-TUPRLDOISA-M |
| InChI | InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/p-1/t7-,15-,17+,18+,21+/m0/s1 |
| SMILES | C[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(C2=O)C(O)=CC([O-])=C3)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]1[C@H:15]([OH:26])[C@@H:17]([OH:28])[C@@H:18]([OH:29])[C@@H:21]([O:32][C:20]2=[C:19]([C:8]3=[CH:4][C:11]([OH:24])=[C:10]([OH:23])[CH:3]=[CH:2]3)[O:31][C:13]3=[CH:6][C:9]([OH:22])=[CH:5][C:12]([OH:25])=[C:14]3[C:16]2=[O:27])[O:30]1 |
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