3,4-methylenedioxymandelic acid

Properties Image MNX_ID MNXM101773 reference chebi:65054 formula C9H8O5 global charge 0 mol weight 196.158 InChIKey CLUJFRCEPFNVHW-UHFFFAOYSA-N InChI InChI=1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12) SMILES O=C(O)C(O)C1=CC2=C(C=C1)OCO2 MNX internals InChI (mnx) InChI=1/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)/t8? SMILES (mnx) [CH:1]1=[CH:2][C:6]2=[C:7]([CH:3]=[C:5]1[CH:8]([C:9](=[O:11])[OH:12])[OH:10])[O:14][CH2:4][O:13]2

Parent-child relations graph

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