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CHEBI:228398 - 1-(3-methoxy-2-nitrostyryl)pyrrolidine

ChEBI IDCHEBI:228398
ChEBI Name1-(3-methoxy-2-nitrostyryl)pyrrolidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16N2O3
Net Charge0
Average Mass248.282
Monoisotopic Mass248.11609
SMILESCOc1cccc(/C=C/N2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O3/c1-18-12-6-4-5-11(13(12)15(16)17)7-10-14-8-2-3-9-14/h4-7,10H,2-3,8-9H2,1H3/b10-7+
InChIKeyMVLONDZYHRQJTM-JXMROGBWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
1-(3-methoxy-2-nitrostyryl)pyrrolidine (CHEBI:228398) is a C-nitro compound (CHEBI:35716)
1-(3-methoxy-2-nitrostyryl)pyrrolidine (CHEBI:228398) is a aromatic ether (CHEBI:35618)
IUPAC Name 
1-[(E)-2-(3-methoxy-2-nitrophenyl)ethenyl]pyrrolidine
Manual XrefsDatabases
4752561ChemSpider