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

ChEBI IDCHEBI:193858
ChEBI NameN-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboximidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20N2O4
Net Charge0
Average Mass280.324
Monoisotopic Mass280.14231
SMILESCOc1cc(C2OC2C(=O)NCCCCN)ccc1O
InChIInChI=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)
InChIKeyXBMDWAWPXHQANH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
74854108ChemSpider