compound 0060615

Properties Image MNX_ID MNXM1191018 reference envipathM:...059eaf24d0b0 formula C13H12O7 global charge 0 mol weight 280.232 InChIKey GKHKLIPSPUPEFZ-UHFFFAOYSA-N InChI InChI=1S/C13H12O7/c14-5-1-2-6(7(15)3-5)11(18)10-8(16)4-9(17)12(19)13(10)20/h1-3,9-10,12,14-15,17,19H,4H2 SMILES O=C1CC(O)C(O)C(=O)C1C(=O)C1=CC=C(O)C=C1O MNX internals InChI (mnx) InChI=1/C13H12O7/c14-5-1-2-6(7(15)3-5)11(18)10-8(16)4-9(17)12(19)13(10)20/h1-3,9-10,12,14-15,17,19H,4H2/t9?,10?,12? SMILES (mnx) [CH:1]1=[CH:2][C:6]([C:11]([CH:10]2[C:8](=[O:16])[CH2:4][CH:9]([OH:17])[CH:12]([OH:19])[C:13]2=[O:20])=[O:18])=[C:7]([OH:15])[CH:3]=[C:5]1[OH:14]

Parent-child relations graph

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