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CHEBI:227397 - Penicillimide

ChEBI IDCHEBI:227397
ChEBI NamePenicillimide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14ClNO5
Net Charge0
Average Mass299.710
Monoisotopic Mass299.05605
SMILESCOC(=O)CCC(=O)NC(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C13H14ClNO5/c1-20-13(19)5-4-11(17)15-12(18)7-8-2-3-10(16)9(14)6-8/h2-3,6,16H,4-5,7H2,1H3,(H,15,17,18)
InChIKeyHLYMODXRDSCQFI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium copticola (ncbitaxon:1131579) - PubMed (25712394)
ChEBI Ontology
Outgoing Relation(s)
Penicillimide (CHEBI:227397) is a acetamides (CHEBI:22160)
IUPAC Name 
methyl 4-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-4-oxobutanoate
Manual XrefsDatabases
22369909ChemSpider