compound 0080234

Properties Image MNX_ID MNXM1178619 reference envipathM:...fdc61772e144 formula C10H12O6 global charge 0 mol weight 228.2 InChIKey FYIBGDKNYYMMAG-UHFFFAOYSA-N InChI InChI=1S/C8H6O4.C2H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;3-1-2-4/h1-4H,(H,9,10)(H,11,12);3-4H,1-2H2 SMILES O=C(O)C1=CC=C(C(=O)O)C=C1.OCCO MNX internals InChI (mnx) InChI=1/C8H6O4.C2H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;3-1-2-4/h1-4H,(H,9,10)(H,11,12);3-4H,1-2H2 SMILES (mnx) [CH2:13]([CH2:14][OH:16])[OH:15].[CH:1]1=[CH:2][C:6]([C:8]([OH:11])=[O:12])=[CH:4][CH:3]=[C:5]1[C:7]([OH:9])=[O:10]

Parent-child relations graph

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