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CHEBI:223949 - Oxepinamide J

ChEBI IDCHEBI:223949
ChEBI NameOxepinamide J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17N3O4
Net Charge0
Average Mass351.362
Monoisotopic Mass351.12191
SMILESC[C@@H]1C(=O)N[C@@](O)(Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3
InChIInChI=1S/C19H17N3O4/c1-12-15(23)21-19(25,11-13-7-3-2-4-8-13)18-20-16-14(17(24)22(12)18)9-5-6-10-26-16/h2-10,12,25H,11H2,1H3,(H,21,23)/t12-,19-/m1/s1
InChIKeyLTIOSJQYEGEEHY-CWTRNNRKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus puniceus (ncbitaxon:41744) - PubMed (31095389)
ChEBI Ontology
Outgoing Relation(s)
Oxepinamide J (CHEBI:223949) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(4R,7R)-4-benzyl-4-hydroxy-7-methyl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual XrefsDatabases
76712516ChemSpider