CHEBI:202534 - Janoxepin

ChEBI IDCHEBI:202534
ChEBI NameJanoxepin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N3O3
Net Charge0
Average Mass341.411
Monoisotopic Mass341.17394
SMILESCC(C)/C=C1\NC(=O)[C@H](CC(C)C)n2c1nc1c(c2=O)C=CC=CO1
InChIInChI=1S/C19H23N3O3/c1-11(2)9-14-16-21-18-13(7-5-6-8-25-18)19(24)22(16)15(10-12(3)4)17(23)20-14/h5-9,11-12,15H,10H2,1-4H3,(H,20,23)/b14-9-/t15-/m0/s1
InChIKeyQPNGJZKIEDZQIV-MZLJFPOFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus janus (ncbitaxon:176171) - DOI (10.1016/j.tet.2005.06.086)
ChEBI Ontology
Outgoing Relation(s)
Janoxepin (CHEBI:202534) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(4Z,7S)-7-(2-methylpropyl)-4-(2-methylpropylidene)-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual XrefsDatabases
9373695ChemSpider