glycosmisic acid

Properties Image MNX_ID MNXM526028 reference chebi:91209 formula C20H20O7 global charge 0 mol weight 372.373 InChIKey FHYQIQMSODIFCP-ZZXKWVIFSA-N InChI InChI=1S/C20H20O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-9,14,19,21-22H,10H2,1-2H3,(H,23,24)/b6-3+ SMILES COC1=CC(C2OC3=C(C=C(/C=C/C(=O)O)C=C3OC)C2CO)=CC=C1O MNX internals InChI (mnx) InChI=1/C20H20O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-9,14,19,21-22H,10H2,1-2H3,(H,23,24)/b6-3+/t14?,19? SMILES (mnx) [CH3:1][O:25][C:16]1=[C:15]([OH:22])[CH:5]=[CH:4][C:12]([CH:19]2[CH:14]([CH2:10][OH:21])[C:13]3=[C:20]([C:17]([O:26][CH3:2])=[CH:8][C:11](/[CH:3]=[CH:6]/[C:18](=[O:23])[OH:24])=[CH:7]3)[O:27]2)=[CH:9]1

Parent-child relations graph

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