compound 0077230

Properties Image MNX_ID MNXM1194963 reference envipathM:...5785cffd6c0d formula C14H10O9 global charge -2 mol weight 322.225 InChIKey IYDRJQIRXZWTMC-NSLJXJERSA-L InChI InChI=1S/C14H12O9/c1-23-9-3-2-6(13(21)14(9)22)12(20)7(4-10(16)17)8(15)5-11(18)19/h2-5,15,21-22H,1H3,(H,16,17)(H,18,19)/p-2/b7-4+,8-5+ SMILES COC1=CC=C(C(=O)C(=C/C(=O)[O-])/C(O)=C\C(=O)[O-])C(O)=C1O MNX internals InChI (mnx) InChI=1/C14H12O9/c1-23-9-3-2-6(13(21)14(9)22)12(20)7(4-10(16)17)8(15)5-11(18)19/h2-5,15,21-22H,1H3,(H,16,17)(H,18,19)/b7-4+,8-5+ SMILES (mnx) [CH3:1][O:23][C:9]1=[C:14]([OH:22])[C:13]([OH:21])=[C:6]([C:12]([C:7](=[CH:4]/[C:10](=[O:16])[OH:17])/[C:8](=[CH:5]\[C:11](=[O:18])[OH:19])[OH:15])=[O:20])[CH:2]=[CH:3]1

Parent-child relations graph

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