Gentiopicrin

Properties Image MNX_ID MNXM11666 reference chebi:5321 formula C16H20O9 global charge 0 mol weight 356.327 InChIKey DUAGQYUORDTXOR-GPQRQXLASA-N InChI InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1 SMILES C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1 SMILES (mnx) [CH2:1]=[CH:2][C@@H:7]1[C:8]2=[CH:3][CH2:4][O:22][C:14](=[O:21])[C:9]2=[CH:6][O:23][C@H:15]1[O:25][C@H:16]1[C@H:13]([OH:20])[C@@H:12]([OH:19])[C@H:11]([OH:18])[C@@H:10]([CH2:5][OH:17])[O:24]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0