4-coumaroyl-3',4'-dihydroxyphenyllactate

Properties Image MNX_ID MNXM10183 reference metacycM:CPD-6978 formula C18H15O7 global charge -1 mol weight 343.311 InChIKey KIMHJUCTTIEANQ-KZJSRBBCSA-M InChI InChI=1S/C18H16O7/c19-13-5-1-11(2-6-13)4-8-17(22)25-16(18(23)24)10-12-3-7-14(20)15(21)9-12/h1-9,16,19-21H,10H2,(H,23,24)/p-1/b8-4+/t16-/m1/s1 SMILES O=C(/C=C/C1=CC=C(O)C=C1)O[C@H](CC1=CC(O)=C(O)C=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H16O7/c19-13-5-1-11(2-6-13)4-8-17(22)25-16(18(23)24)10-12-3-7-14(20)15(21)9-12/h1-9,16,19-21H,10H2,(H,23,24)/b8-4+/t16-/m1/s1 SMILES (mnx) [CH:1]1=[CH:5][C:13]([OH:19])=[CH:6][CH:2]=[C:11]1/[CH:4]=[CH:8]/[C:17](=[O:22])[O:25][C@H:16]([CH2:10][C:12]1=[CH:9][C:15]([OH:21])=[C:14]([OH:20])[CH:7]=[CH:3]1)[C:18](=[O:23])[OH:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0