methyl (E)-caffeate

Properties Image MNX_ID MNXM61748 reference chebi:6856 formula C10H10O4 global charge 0 mol weight 194.186 InChIKey OCNYGKNIVPVPPX-HWKANZROSA-N InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+ SMILES COC(=O)/C=C/C1=CC=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+ SMILES (mnx) [CH3:1][O:14][C:10](/[CH:5]=[CH:3]/[C:7]1=[CH:6][C:9]([OH:12])=[C:8]([OH:11])[CH:4]=[CH:2]1)=[O:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0