(E,E)-piperate

Properties Image MNX_ID MNXM31473 reference chebi:192831 formula C12H9O4 global charge -1 mol weight 217.2 InChIKey RHBGITBPARBDPH-ZPUQHVIOSA-M InChI InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/p-1/b3-1+,4-2+ SMILES O=C([O-])/C=C/C=C/C1=CC=C2OCOC2=C1 MNX internals InChI (mnx) InChI=1/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+ SMILES (mnx) [CH:1](/[CH:2]=[CH:4]/[C:12](=[O:13])[OH:14])=[CH:3]\[C:9]1=[CH:7][C:11]2=[C:10]([CH:6]=[CH:5]1)[O:15][CH2:8][O:16]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0