a jasmonoyl-L-phenylalanine

Properties Image MNX_ID MNXM18788 reference metacycM:Jasmonoyl-Phenylalanines formula C21H26NO4 global charge -1 mol weight 356.442 InChIKey BYYWRCJZFSTRMQ-YYYBFOMSSA-M InChI InChI=1S/C21H27NO4/c1-2-3-5-10-17-16(11-12-19(17)23)14-20(24)22-18(21(25)26)13-15-8-6-4-7-9-15/h3-9,16-18H,2,10-14H2,1H3,(H,22,24)(H,25,26)/p-1/b5-3-/t16?,17?,18-/m0/s1 SMILES CC/C=C\CC1C(=O)CCC1CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C21H27NO4/c1-2-3-5-10-17-16(11-12-19(17)23)14-20(24)22-18(21(25)26)13-15-8-6-4-7-9-15/h3-9,16-18H,2,10-14H2,1H3,(H,22,24)(H,25,26)/b5-3-/t16?,17?,18-/m0/s1 SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:5]\[CH2:10][CH:17]1[CH:16]([CH2:14][C:20](=[N:22][C@@H:18]([CH2:13][C:15]2=[CH:8][CH:6]=[CH:4][CH:7]=[CH:9]2)[C:21](=[O:25])[OH:26])[OH:24])[CH2:11][CH2:12][C:19]1=[O:23]

Parent-child relations graph

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