2-hydroxy-6-[2-(3,4-dihydroxyphenyl-5-methoxy)-2-oxoethyl]benzoic acid

Properties Image MNX_ID MNXM101639 reference chebi:68128 formula C16H14O7 global charge 0 mol weight 318.281 InChIKey RQTLRWYINSEUHU-UHFFFAOYSA-N InChI InChI=1S/C16H14O7/c1-23-13-7-9(6-12(19)15(13)20)11(18)5-8-3-2-4-10(17)14(8)16(21)22/h2-4,6-7,17,19-20H,5H2,1H3,(H,21,22) SMILES COC1=C(O)C(O)=CC(C(=O)CC2=C(C(=O)O)C(O)=CC=C2)=C1 MNX internals InChI (mnx) InChI=1/C16H14O7/c1-23-13-7-9(6-12(19)15(13)20)11(18)5-8-3-2-4-10(17)14(8)16(21)22/h2-4,6-7,17,19-20H,5H2,1H3,(H,21,22) SMILES (mnx) [CH3:1][O:23][C:13]1=[CH:7][C:9]([C:11]([CH2:5][C:8]2=[C:14]([C:16](=[O:21])[OH:22])[C:10]([OH:17])=[CH:4][CH:2]=[CH:3]2)=[O:18])=[CH:6][C:12]([OH:19])=[C:15]1[OH:20]

Parent-child relations graph

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