CHEBI:191190 - Sinapoylagmatine

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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 Sinapoylagmatine
ChEBI ID CHEBI:191190
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24N4O4
Net Charge 0
Average Mass 336.392
Monoisotopic Mass 336.17976
InChI InChI=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+
InChIKey RMPWIMTWMOPCAR-AATRIKPKSA-N
SMILES O(C1=CC(\C=C\C(=O)NCCCCN=C(N)N)=CC(OC)=C1O)C
Metabolite of Species Details
Triticum aestivum (NCBI:txid4565) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 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