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N(1),N(5),N(10)-tris[(E)-feruloyl]spermidine

MNXM6459 is deprecated and here replaced by MNXM1370656
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370656 Image of MNXM1370656
referencechebi:232326
formulaC37H43N3O9
global charge0
mol weight673.763
InChIKeyKMJWIBDYGUTEFB-WLJYFSRTSA-N
InChIInChI=1S/C37H43N3O9/c1-47-32-23-26(7-13-29(32)41)10-16-35(44)38-19-4-5-21-40(37(46)18-12-28-9-15-31(43)34(25-28)49-3)22-6-20-39-36(45)17-11-27-8-14-30(42)33(24-27)48-2/h7-18,23-25,41-43H,4-6,19-22H2,1-3H3,(H,38,44)(H,39,45)/b16-10+,17-11+,18-12+
SMILESCOC1=CC(/C=C/C(=O)N(CCCCNC(=O)/C=C/C2=CC(OC)=C(O)C=C2)CCCNC(=O)/C=C/C2=CC(OC)=C(O)C=C2)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C37H43N3O9/c1-47-32-23-26(7-13-29(32)41)10-16-35(44)38-19-4-5-21-40(37(46)18-12-28-9-15-31(43)34(25-28)49-3)22-6-20-39-36(45)17-11-27-8-14-30(42)33(24-27)48-2/h7-18,23-25,41-43H,4-6,19-22H2,1-3H3,(H,38,44)(H,39,45)/b16-10+,17-11+,18-12+ Image of MNXM1370656
SMILES (mnx)[CH3:1][O:47][C:32]1=[C:29]([OH:41])[CH:13]=[CH:7][C:26](/[CH:10]=[CH:16]/[C:35](=[N:38]/[CH2:19][CH2:4][CH2:5][CH2:21][N:40]([CH2:22][CH2:6][CH2:20]/[N:39]=[C:36](/[CH:17]=[CH:11]/[C:27]2=[CH:24][C:33]([O:48][CH3:2])=[C:30]([OH:42])[CH:14]=[CH:8]2)[OH:45])[C:37](/[CH:18]=[CH:12]/[C:28]2=[CH:25][C:34]([O:49][CH3:3])=[C:31]([OH:43])[CH:15]=[CH:9]2)=[O:46])[OH:44])=[CH:23]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:232326
chebi:232326
KMJWIBDYGUTEFB-WLJYFSRTSA-N 		N(1),N(5),N(10)-tris[(E)-feruloyl]spermidine
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide
N(1),N(5),N(10)-tris-(E)-feruloyl spermidine

kegg.compound:C18071
keggC:C18071
KMJWIBDYGUTEFB-WLJYFSRTSA-N 		N1,N5,N10-Triferuloyl spermidine

seed.compound:cpd18053
seedM:cpd18053
KMJWIBDYGUTEFB-WLJYFSRTSA-N 		N1,N5,N10-Triferuloyl spermidine
N1,N5,N10-triferuloyl spermidine
triferuloyl spermidine

metacyc.compound:CPD-12214
metacycM:CPD-12214
KMJWIBDYGUTEFB-WLJYFSRTSA-N 		triferuloyl spermidine
N1,N5,N10-triferuloyl spermidine

keggC:M_C18071
seedM:M_cpd18053 		secondary/obsolete/fantasy identifier