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CHEBI:192661 - 3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile

ChEBI IDCHEBI:192661
ChEBI Name3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17N3O3
Net Charge0
Average Mass275.308
Monoisotopic Mass275.12699
SMILESN#CC(CO)Cc1cc([N+](=O)[O-])ccc1N1CCCC1
InChIInChI=1S/C14H17N3O3/c15-9-11(10-18)7-12-8-13(17(19)20)3-4-14(12)16-5-1-2-6-16/h3-4,8,11,18H,1-2,5-7,10H2
InChIKeySMBDGASUWGZVPP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile (CHEBI:192661) is a pyrrolidines (CHEBI:38260)
IUPAC Name 
2-(hydroxymethyl)-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanenitrile
Manual XrefsDatabases
2010097ChemSpider