3-Benzylmalic acid

Properties Image MNX_ID MNXM146504 reference chebi:179102 formula C11H12O5 global charge 0 mol weight 224.212 InChIKey SDRCJDXJFGYTRZ-UHFFFAOYSA-N InChI InChI=1S/C11H12O5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,13,14)(H,15,16) SMILES O=C(O)C(O)C(CC1=CC=CC=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C11H12O5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,13,14)(H,15,16)/t8?,9? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:7]([CH2:6][CH:8]([CH:9]([C:11](=[O:15])[OH:16])[OH:12])[C:10](=[O:13])[OH:14])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0