Methyl-sinapate

Properties Image MNX_ID MNXM19325 reference chebi:194845 formula C12H14O5 global charge 0 mol weight 238.239 InChIKey JHLPYWLKSLVYOI-SNAWJCMRSA-N InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+ SMILES COC(=O)/C=C/C1=CC(OC)=C(O)C(OC)=C1 MNX internals InChI (mnx) InChI=1/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+ SMILES (mnx) [CH3:1][O:15][C:9]1=[C:12]([OH:14])[C:10]([O:16][CH3:2])=[CH:7][C:8](/[CH:4]=[CH:5]/[C:11](=[O:13])[O:17][CH3:3])=[CH:6]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0