Coumeroic acid

Properties Image MNX_ID MNXM7203 reference chebi:31435 formula C17H14N2O7 global charge 0 mol weight 358.306 InChIKey DBCRBUVJYHSJEQ-UHFFFAOYSA-N InChI InChI=1S/C17H14N2O7/c1-6-9(16(23)24)5-18-11(6)15(22)19-12-13(21)8-3-4-10(20)7(2)14(8)26-17(12)25/h3-5,18,20-21H,1-2H3,(H,19,22)(H,23,24) SMILES CC1=C(C(=O)NC2=C(O)C3=CC=C(O)C(C)=C3OC2=O)NC=C1C(=O)O MNX internals InChI (mnx) InChI=1/C17H14N2O7/c1-6-9(16(23)24)5-18-11(6)15(22)19-12-13(21)8-3-4-10(20)7(2)14(8)26-17(12)25/h3-5,18,20-21H,1-2H3,(H,19,22)(H,23,24) SMILES (mnx) [CH3:1][C:6]1=[C:11]([C:15](=[N:19][C:12]2=[C:13]([OH:21])[C:8]3=[C:14]([C:7]([CH3:2])=[C:10]([OH:20])[CH:4]=[CH:3]3)[O:26][C:17]2=[O:25])[OH:22])[NH:18][CH:5]=[C:9]1[C:16](=[O:23])[OH:24]

Parent-child relations graph

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