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CHEBI:223934 - Methyl troposulfenin

ChEBI IDCHEBI:223934
ChEBI NameMethyl troposulfenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H6O3S2
Net Charge0
Average Mass226.278
Monoisotopic Mass225.97584
SMILESCSc1cccc(=O)c2c(=O)osc12
InChIInChI=1S/C9H6O3S2/c1-13-6-4-2-3-5(10)7-8(6)14-12-9(7)11/h2-4H,1H3
InChIKeyBMECXPFQKLRLQJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phaeobacter inhibens (ncbitaxon:221822) - PubMed (30978024)
ChEBI Ontology
Outgoing Relation(s)
Methyl troposulfenin (CHEBI:223934) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
8-methylsulanylcyclohepta[c]oxathiole-3,4-dione
Manual XrefsDatabases
75320563ChemSpider