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CHEBI:198783 - 5-(Methylthio)canthin-6-one

ChEBI IDCHEBI:198783
ChEBI Name5-(Methylthio)canthin-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10N2OS
Net Charge0
Average Mass266.325
Monoisotopic Mass266.05138
SMILESCSc1cc2nccc3c4ccccc4n(c1=O)c23
InChIInChI=1S/C15H10N2OS/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3
InChIKeyBKKCKIMPRRTNMC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pulveroboletus curtisii (ncbitaxon:279516) - DOI (10.1002/ejoc.200400519)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-(Methylthio)canthin-6-one (CHEBI:198783) is a alkaloid (CHEBI:22315)
5-(Methylthio)canthin-6-one (CHEBI:198783) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
3-methylsulanyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Manual XrefsDatabases
9657323ChemSpider