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

MNXM7840 is deprecated and here replaced by MNXM1372237
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372237 Image of MNXM1372237
referencechebi:232336
formulaC34H37N3O6
global charge0
mol weight583.685
InChIKeyPFDVWJCSCYDRMZ-AUCPOXKISA-N
InChIInChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+
SMILESO=C(/C=C/C1=CC=C(O)C=C1)NCCCCN(CCCNC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)/C=C/C1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+ Image of MNXM1372237
SMILES (mnx)[CH2:1]([CH2:2][CH2:24][N:37]([CH2:25][CH2:3][CH2:23]/[N:36]=[C:33](/[CH:20]=[CH:11]/[C:27]1=[CH:7][CH:16]=[C:30]([OH:39])[CH:15]=[CH:6]1)[OH:42])[C:34](/[CH:21]=[CH:12]/[C:28]1=[CH:9][CH:18]=[C:31]([OH:40])[CH:17]=[CH:8]1)=[O:43])[CH2:22]/[N:35]=[C:32](/[CH:19]=[CH:10]/[C:26]1=[CH:5][CH:14]=[C:29]([OH:38])[CH:13]=[CH:4]1)[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:232336
chebi:232336
PFDVWJCSCYDRMZ-AUCPOXKISA-N 		N(1),N(5),N(10)-tris[(E)-p-coumaroyl]spermidine
(2E)-3-(4-hydroxyphenyl)-N-(4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide
(2E)-3-(4-hydroxyphenyl)-N-[4-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]butyl]-N-[3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]propyl]-2-propenamide
N(1),N(5),N(10)-(E)-tri-p-coumaroylspermidine
N(1),N(5),N(10)-tri-p-(E)-coumaroylspermidine

kegg.compound:C18069
keggC:C18069
PFDVWJCSCYDRMZ-AUCPOXKISA-N 		N1,N5,N10-Tricoumaroyl spermidine

seed.compound:cpd18051
seedM:cpd18051
PFDVWJCSCYDRMZ-AUCPOXKISA-N 		N1,N5,N10-Tricoumaroyl spermidine
N1,N5,N10-tricoumaroyl spermidine
tricoumaroyl spermidine

metacyc.compound:CPD-12212
metacycM:CPD-12212
PFDVWJCSCYDRMZ-AUCPOXKISA-N 		tricoumaroyl spermidine
N1,N5,N10-tricoumaroyl spermidine

keggC:M_C18069
seedM:M_cpd18051 		secondary/obsolete/fantasy identifier