compound 0077304

Properties Image MNX_ID MNXM1170548 reference envipathM:...8933ebfb7031 formula C13H12O7 global charge 0 mol weight 280.232 InChIKey UMDWLDKKBUPYGN-UHFFFAOYSA-N InChI InChI=1S/C13H12O7/c14-5-1-2-7(15)6(3-5)11(18)10-8(16)4-9(17)12(19)13(10)20/h1-4,10,12-16,19-20H SMILES O=C1C=C(O)C(C(=O)C2=CC(O)=CC=C2O)C(O)C1O MNX internals InChI (mnx) InChI=1/C13H12O7/c14-5-1-2-7(15)6(3-5)11(18)10-8(16)4-9(17)12(19)13(10)20/h1-4,10,12-16,19-20H/t10?,12?,13? SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:15])=[C:6]([C:11]([CH:10]2[C:8]([OH:16])=[CH:4][C:9](=[O:17])[CH:12]([OH:19])[CH:13]2[OH:20])=[O:18])[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