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

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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 9-(Methylthio)canthin-6-one
ChEBI ID CHEBI:210931
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H12N2OS2
Net Charge 0
Average Mass 312.410
Monoisotopic Mass 312.03911
InChI InChI=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
InChIKey OZQSTJALGHHVKK-UHFFFAOYSA-N
SMILES S(C=1C2=NC=CC3=C2N(C=4C=C(SC)C=CC34)C(C1)=O)C
Metabolite of Species Details
Pulveroboletus curtisii (NCBI:txid279516) See: DOI
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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 Xref Database
78436015 ChemSpider
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