compound 0050273

Properties Image MNX_ID MNXM1175661 reference envipathM:...9706d4cb73c4 formula C13H12O6 global charge -2 mol weight 264.233 InChIKey BMDVTSNPMCBSBY-UHFFFAOYSA-L InChI InChI=1S/C13H14O6/c1-7(14)8-2-4-9(5-3-8)12(17)10(13(18)19)6-11(15)16/h2-5,10,12,17H,6H2,1H3,(H,15,16)(H,18,19)/p-2 SMILES CC(=O)C1=CC=C(C(O)C(CC(=O)[O-])C(=O)[O-])C=C1 MNX internals InChI (mnx) InChI=1/C13H14O6/c1-7(14)8-2-4-9(5-3-8)12(17)10(13(18)19)6-11(15)16/h2-5,10,12,17H,6H2,1H3,(H,15,16)(H,18,19)/t10?,12? SMILES (mnx) [CH3:1][C:7]([C:8]1=[CH:3][CH:5]=[C:9]([CH:12]([CH:10]([CH2:6][C:11](=[O:15])[OH:16])[C:13](=[O:18])[OH:19])[OH:17])[CH:4]=[CH:2]1)=[O:14]

Parent-child relations graph

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