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CHEBI:202102 - Pestalactam B

ChEBI IDCHEBI:202102
ChEBI NamePestalactam B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H13NO4
Net Charge0
Average Mass211.217
Monoisotopic Mass211.08446
SMILESCC(C)(O)Cc1cc(=O)c(O)cc(=O)n1
InChIInChI=1S/C10H13NO4/c1-10(2,15)5-6-3-7(12)8(13)4-9(14)11-6/h3-4,15H,5H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyXIZXAOCEYPTCMX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (20449480)
ChEBI Ontology
Outgoing Relation(s)
Pestalactam B (CHEBI:202102) is a azepine (CHEBI:48105)
IUPAC Name 
4-hydroxy-7-(2-hydroxy-2-methylpropyl)-1H-azepine-2,5-dione
Manual XrefsDatabases
74901154ChemSpider