CHEBI:229855 - caffeoylferuloylspermidine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name caffeoylferuloylspermidine
ChEBI ID CHEBI:229855
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H33N3O6
Net Charge 0
Average Mass 483.565
Monoisotopic Mass 483.23694
InChI InChI=1S/C26H33N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-25(33)28-15-3-2-13-27-14-4-16-29-26(34)11-7-19-5-9-21(30)23(32)17-19/h5-12,17-18,27,30-32H,2-4,13-16H2,1H3,(H,28,33)(H,29,34)/b11-7+,12-8+
InChIKey YUUGXIVVDZSRNR-MKICQXMISA-N
SMILES O=C(NCCCCNCCCNC(=O)/C=C/C1=CC(O)=C(O)C=C1)/C=C/C2=CC(OC)=C(O)C=C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing caffeoylferuloylspermidine (CHEBI:229855) is a methoxybenzenes (CHEBI:51683)
caffeoylferuloylspermidine (CHEBI:229855) is a phenols (CHEBI:33853)
IUPAC Name
(E)-3-(3,4-dihydroxyphenyl)-N-[3-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butylamino]propyl]prop-2-enamide
Manual Xrefs Databases
30777008 ChemSpider
HMDB0033470 HMDB
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