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CHEBI:210931 - 9-(Methylthio)canthin-6-one

ChEBI IDCHEBI:210931
ChEBI Name9-(Methylthio)canthin-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12N2OS2
Net Charge0
Average Mass312.419
Monoisotopic Mass312.03911
SMILESCSc1ccc2c3ccnc4c(SC)cc(=O)n(c2c1)c43
InChIInChI=1S/C16H12N2OS2/c1-20-9-3-4-10-11-5-6-17-15-13(21-2)8-14(19)18(16(11)15)12(10)7-9/h3-8H,1-2H3
InChIKeyOZQSTJALGHHVKK-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)
9-(Methylthio)canthin-6-one (CHEBI:210931) is a alkaloid (CHEBI:22315)
9-(Methylthio)canthin-6-one (CHEBI:210931) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
4,13-bis(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
78436015ChemSpider