| Properties | Image |
|---|
| MNX_ID | MNXM14299 |
 |
| reference | metacycM:CPD-13685 |
| formula | C19H19O9 |
| global charge | -1 |
| mol weight | 391.352 |
| InChIKey | AUARYYUGYYPPDD-LQDZTQBFSA-M |
| InChI | InChI=1S/C19H20O9/c20-14(21)8-15(22)26-9-13-16(23)17(24)18(25)19(28-13)27-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13,16-19,23-25H,8-9H2,(H,20,21)/p-1/t13-,16-,17+,18-,19-/m1/s1 |
| SMILES | O=C([O-])CC(=O)OC[C@H]1O[C@@H](OC2=CC=C3C=CC=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C19H20O9/c20-14(21)8-15(22)26-9-13-16(23)17(24)18(25)19(28-13)27-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13,16-19,23-25H,8-9H2,(H,20,21)/t13-,16-,17+,18-,19-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:11]2[CH:7]=[C:12]([O:27][C@H:19]3[C@H:18]([OH:25])[C@@H:17]([OH:24])[C@H:16]([OH:23])[C@@H:13]([CH2:9][O:26][C:15]([CH2:8][C:14](=[O:20])[OH:21])=[O:22])[O:28]3)[CH:6]=[CH:5][C:10]2=[CH:3]1 |
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