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CHEBI:180669 - Caffeoylagmatine

ChEBI IDCHEBI:180669
ChEBI NameCaffeoylagmatine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20N4O3
Net Charge0
Average Mass292.339
Monoisotopic Mass292.15354
SMILESNC(N)=NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C14H20N4O3/c15-14(16)18-8-2-1-7-17-13(21)6-4-10-3-5-11(19)12(20)9-10/h3-6,9,19-20H,1-2,7-8H2,(H,17,21)(H4,15,16,18)/b6-4+
InChIKeyUUSBJNDAAOUQAC-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530)
leaf sheath (BTO:0005094) Article Strain: Rathu Heenati
leaf sheath (BTO:0005094) Article Strain: KDML105
ChEBI Ontology
Outgoing Relation(s)
Caffeoylagmatine (CHEBI:180669) is a catechols (CHEBI:33566)
IUPAC Name 
(E)-N-[4-(diaminomethylideneamino)butyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide