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N(1),N(8)-bis(coumaroyl)-spermidine

PropertiesImage
MNX_IDMNXM128540 Image of MNXM128540
referencechebi:85007
formulaC25H32N3O4
global charge1
mol weight438.548
InChIKeyQYBCBMVQSCJMSA-VOMDNODZSA-O
InChIInChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/p+1/b14-8+,15-9+
SMILESO=C(/C=C/C1=CC=C(O)C=C1)NCCCC[NH2+]CCCNC(=O)/C=C/C1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/b14-8+,15-9+ Image of MNXM128540
SMILES (mnx)[CH2:1]([CH2:2][CH2:18]/[N:27]=[C:24](/[CH:14]=[CH:8]/[C:20]1=[CH:5][CH:11]=[C:22]([OH:29])[CH:10]=[CH:4]1)[OH:31])[CH2:16][NH:26][CH2:17][CH2:3][CH2:19]/[N:28]=[C:25](/[CH:15]=[CH:9]/[C:21]1=[CH:7][CH:13]=[C:23]([OH:30])[CH:12]=[CH:6]1)[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85007
chebi:85007
QYBCBMVQSCJMSA-VOMDNODZSA-O 		N(1),N(8)-bis(coumaroyl)-spermidine
4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}-N-(3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}propyl)butan-1-aminium
N(1),N(8)-bis(coumaroyl)spermidine(1+)

CHEBI:85530
chebi:85530
QYBCBMVQSCJMSA-VOMDNODZSA-N 		N(1),N(8)-bis(coumaroyl)spermidine
(2E)-3-(4-hydroxyphenyl)-N-{3-[(4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}butyl)amino]propyl}prop-2-enamide
hmdb:HMDB0033469
QYBCBMVQSCJMSA-VOMDNODZSA-N 		N1,N10-Dicoumaroylspermidine
(2E)-3-(4-hydroxyphenyl)-N-[3-({4-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butyl}amino)propyl]prop-2-enamide
N1,N10-Bis(4-hydroxycinnamoyl)spermidine

kegg.compound:C21169
keggC:C21169
QYBCBMVQSCJMSA-VOMDNODZSA-N 		N1,N8-Bis(4-coumaroyl)spermidine
N1,N10-Dicoumaroyl spermidine

metacyc.compound:CPD-17699
metacycM:CPD-17699
seed.compound:cpd35181
seedM:cpd35181
QYBCBMVQSCJMSA-VOMDNODZSA-O 		N1,N8-bis(coumaroyl)-spermidine

hmdb:HMDB33469
keggC:M_C21169
seedM:M_cpd35181 		secondary/obsolete/fantasy identifier