CHEBI:175300 - Dicaffeoylputrescine

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ChEBI Name Dicaffeoylputrescine
ChEBI ID CHEBI:175300
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H24N2O6
Net Charge 0
Average Mass 412.442
Monoisotopic Mass 412.16344
InChI InChI=1S/C22H24N2O6/c25-17-7-3-15(13-19(17)27)5-9-21(29)23-11-1-2-12-24-22(30)10-6-16-4-8-18(26)20(28)14-16/h3-10,13-14,25-28H,1-2,11-12H2,(H,23,29)(H,24,30)/b9-5+,10-6+
InChIKey WKIWXOKCKNMLIX-NXZHAISVSA-N
SMILES O=C(NCCCCNC(=O)/C=C/C1=CC(O)=C(O)C=C1)/C=C/C2=CC(O)=C(O)C=C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Dicaffeoylputrescine (CHEBI:175300) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name
(E)-3-(3,4-dihydroxyphenyl)-N-[4-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
Manual Xrefs Databases
9713619 ChemSpider
HMDB0033467 HMDB
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