Homovanillic acid sulfate

Properties Image MNX_ID MNXM56647 reference chebi:88405 formula C9H10O7S global charge 0 mol weight 262.239 InChIKey IACOAKYXFIWAQN-UHFFFAOYSA-N InChI InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14) SMILES COC1=C(OS(=O)(=O)O)C=CC(CC(=O)O)=C1 MNX internals InChI (mnx) InChI=1/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14) SMILES (mnx) [CH3:1][O:15][C:8]1=[C:7]([O:16][S:17]([OH:12])(=[O:13])=[O:14])[CH:3]=[CH:2][C:6]([CH2:5][C:9](=[O:10])[OH:11])=[CH:4]1

Parent-child relations graph

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