Cinnzeylanine

Properties Image MNX_ID MNXM120559 reference chebi:172669 formula C22H34O8 global charge 0 mol weight 426.506 InChIKey DFYFOAFKHRTQLA-UHFFFAOYSA-N InChI InChI=1S/C22H34O8/c1-11(2)17(24)10-19(26)15(5)9-20(27)16(17,6)22(19,28)21(30-20)14(29-13(4)23)12(3)7-8-18(15,21)25/h11-12,14,24-28H,7-10H2,1-6H3 SMILES CC(=O)OC1C(C)CCC2(O)C3(C)CC4(O)OC12C1(O)C3(O)CC(O)(C(C)C)C41C MNX internals InChI (mnx) InChI=1/C22H34O8/c1-11(2)17(24)10-19(26)15(5)9-20(27)16(17,6)22(19,28)21(30-20)14(29-13(4)23)12(3)7-8-18(15,21)25/h11-12,14,24-28H,7-10H2,1-6H3/t12?,14?,15?,16?,17?,18?,19?,20?,21?,22? SMILES (mnx) [CH3:1][CH:11]([CH3:2])[C:17]1([OH:24])[CH2:10][C:19]2([OH:26])[C:15]3([CH3:5])[CH2:9][C:20]4([OH:27])[C:16]1([CH3:6])[C:22]2([OH:28])[C:21]1([CH:14]([O:29][C:13]([CH3:4])=[O:23])[CH:12]([CH3:3])[CH2:7][CH2:8][C:18]31[OH:25])[O:30]4

Parent-child relations graph

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