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CHEBI:191190 - Sinapoylagmatine

ChEBI IDCHEBI:191190
ChEBI NameSinapoylagmatine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24N4O4
Net Charge0
Average Mass336.392
Monoisotopic Mass336.17976
SMILESCOc1cc(/C=C/C(=O)NCCCCN=C(N)N)cc(OC)c1O
InChIInChI=1S/C16H24N4O4/c1-23-12-9-11(10-13(24-2)15(12)22)5-6-14(21)19-7-3-4-8-20-16(17)18/h5-6,9-10,22H,3-4,7-8H2,1-2H3,(H,19,21)(H4,17,18,20)/b6-5+
InChIKeyRMPWIMTWMOPCAR-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Triticum aestivum (ncbitaxon:4565) leaf (BTO:0000713) MetaboLights (MTBLS4542)
ChEBI Ontology
Outgoing Relation(s)
Sinapoylagmatine (CHEBI:191190) is a methoxybenzenes (CHEBI:51683)
Sinapoylagmatine (CHEBI:191190) is a phenols (CHEBI:33853)
IUPAC Name 
(E)-N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide