compound 0075465

Properties Image MNX_ID MNXM1179869 reference envipathM:...d5da6a05ffe7 formula C12H11O7 global charge -1 mol weight 267.213 InChIKey ODSHKZISTXODPF-UHFFFAOYSA-M InChI InChI=1S/C12H12O7/c1-12(19,10(16)9(15)11(17)18)5-6-2-3-7(13)8(14)4-6/h2-4,13-14,19H,5H2,1H3,(H,17,18)/p-1 SMILES CC(O)(CC1=CC=C(O)C(O)=C1)C(=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H12O7/c1-12(19,10(16)9(15)11(17)18)5-6-2-3-7(13)8(14)4-6/h2-4,13-14,19H,5H2,1H3,(H,17,18)/t12? SMILES (mnx) [CH3:1][C:12]([CH2:5][C:6]1=[CH:4][C:8]([OH:14])=[C:7]([OH:13])[CH:3]=[CH:2]1)([C:10]([C:9]([C:11](=[O:17])[OH:18])=[O:15])=[O:16])[OH:19]

Parent-child relations graph

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