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CHEBI:204042 - 4-(Methylthio)canthin-6-one

ChEBI IDCHEBI:204042
ChEBI Name4-(Methylthio)canthin-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10N2OS
Net Charge0
Average Mass266.325
Monoisotopic Mass266.05138
SMILESCSc1cc(=O)n2c3ccccc3c3ccnc1c32
InChIInChI=1S/C15H10N2OS/c1-19-12-8-13(18)17-11-5-3-2-4-9(11)10-6-7-16-14(12)15(10)17/h2-8H,1H3
InChIKeyHCKATCNEEDQXNJ-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)
4-(Methylthio)canthin-6-one (CHEBI:204042) is a alkaloid (CHEBI:22315)
4-(Methylthio)canthin-6-one (CHEBI:204042) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
4-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
227522ChemSpider