Janoxepin (CHEBI:202534)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Janoxepin

ChEBI ID	CHEBI:202534

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H23N3O3

Net Charge

Average Mass

341.411

Monoisotopic Mass

341.17394

InChI

InChI=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

InChIKey

QPNGJZKIEDZQIV-MZLJFPOFSA-N

SMILES

O=C1N2C(=NC3=C1C=CC=CO3)/C(/NC([C@@H]2CC(C)C)=O)=C/C(C)C

Metabolite of Species	Details
Aspergillus janus (NCBI:txid176171)	See: DOI

ChEBI Ontology
Outgoing	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