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CHEBI:177750 - (1S,4S)-menthone-8-thioacetate

ChEBI IDCHEBI:177750
ChEBI Name(1S,4S)-menthone-8-thioacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O2S
Net Charge0
Average Mass228.357
Monoisotopic Mass228.11840
SMILES[H][C@]1(C(C)(C)SC(C)=O)CC[C@H](C)CC1=O
InChIInChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10-/m0/s1
InChIKeyAMXPURQVAMENCC-WPRPVWTQSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
(1S,4S)-menthone-8-thioacetate (CHEBI:177750) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
S-[2-[(1S,4S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
Manual XrefsDatabases
30777186ChemSpider
HMDB0037386HMDB
Registry NumbersSources
CAS:145212-89-1ChemIDplus