compound 0077171

Properties Image MNX_ID MNXM1192808 reference envipathM:...f821d96ec0e3 formula C12H9O8 global charge -1 mol weight 281.196 InChIKey AAWGMDBIRRVWTR-UTCJRWHESA-M InChI InChI=1S/C12H10O8/c13-6(4-10(17)12(19)20)3-7(14)5-1-8(15)11(18)9(16)2-5/h1-3,13,15-16,18H,4H2,(H,19,20)/p-1/b6-3- SMILES O=C([O-])C(=O)C/C(O)=C/C(=O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C12H10O8/c13-6(4-10(17)12(19)20)3-7(14)5-1-8(15)11(18)9(16)2-5/h1-3,13,15-16,18H,4H2,(H,19,20)/b6-3- SMILES (mnx) [CH:1]1=[C:5]([C:7](/[CH:3]=[C:6](/[CH2:4][C:10]([C:12]([OH:19])=[O:20])=[O:17])[OH:13])=[O:14])[CH:2]=[C:9]([OH:16])[C:11]([OH:18])=[C:8]1[OH:15]

Parent-child relations graph

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