CHEBI:193858 - N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboximidic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboximidic acid
ChEBI ID CHEBI:193858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20N2O4
Net Charge 0
Average Mass 280.324
Monoisotopic Mass 280.14231
InChI InChI=1S/C14H20N2O4/c1-19-11-8-9(4-5-10(11)17)12-13(20-12)14(18)16-7-3-2-6-15/h4-5,8,12-13,17H,2-3,6-7,15H2,1H3,(H,16,18)
InChIKey XBMDWAWPXHQANH-UHFFFAOYSA-N
SMILES O1C(C1C(=O)NCCCCN)C2=CC(OC)=C(O)C=C2
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboximidic acid (CHEBI:193858) is a methoxybenzenes (CHEBI:51683)
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboximidic acid (CHEBI:193858) is a phenols (CHEBI:33853)
IUPAC Name
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxamide
Manual Xref Database
74854108 ChemSpider
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