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CHEBI:199646 - Pestalactam C

ChEBI IDCHEBI:199646
ChEBI NamePestalactam C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10ClNO3
Net Charge0
Average Mass227.647
Monoisotopic Mass227.03492
SMILESCC(C)=Cc1cc(=O)c(O)c(Cl)c(=O)n1
InChIInChI=1S/C10H10ClNO3/c1-5(2)3-6-4-7(13)9(14)8(11)10(15)12-6/h3-4H,1-2H3,(H,12,15)(H,13,14)
InChIKeyZLRVCUJSJZWTEK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (20449480)
ChEBI Ontology
Outgoing Relation(s)
Pestalactam C (CHEBI:199646) is a azepine (CHEBI:48105)
IUPAC Name 
3-chloro-4-hydroxy-7-(2-methylprop-1-enyl)-1H-azepine-2,5-dione
Manual XrefsDatabases
78435333ChemSpider