N1,N10-Diferuloylspermidine

Properties Image MNX_ID MNXM128541 reference chebi:188297 formula C27H35N3O6 global charge 0 mol weight 497.592 InChIKey IGHVUFYLAJSILE-UQXQTEIVSA-N InChI InChI=1S/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)29-16-4-3-14-28-15-5-17-30-27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,28,31-32H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/b12-8+,13-9- SMILES COC1=C(O)C=CC(/C=C\C(=O)NCCCNCCCCNC(=O)/C=C/C2=CC(OC)=C(O)C=C2)=C1 MNX internals InChI (mnx) InChI=1/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)29-16-4-3-14-28-15-5-17-30-27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,28,31-32H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,34)/b12-8+,13-9- SMILES (mnx) [CH3:1][O:35][C:24]1=[C:22]([OH:31])[CH:10]=[CH:6][C:20](/[CH:8]=[CH:12]/[C:26](=[N:29]/[CH2:16][CH2:4][CH2:3][CH2:14][NH:28][CH2:15][CH2:5][CH2:17]/[N:30]=[C:27](/[CH:13]=[CH:9]\[C:21]2=[CH:19][C:25]([O:36][CH3:2])=[C:23]([OH:32])[CH:11]=[CH:7]2)[OH:34])[OH:33])=[CH:18]1

Parent-child relations graph

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