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CHEBI:169213 - (S)-3-Methylthiohexyl acetate

ChEBI IDCHEBI:169213
ChEBI Name(S)-3-Methylthiohexyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2S
Net Charge0
Average Mass190.308
Monoisotopic Mass190.10275
SMILESCCCC(CCOC(C)=O)SC
InChIInChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3
InChIKeyVIQXICKUKPVFRK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(S)-3-Methylthiohexyl acetate (CHEBI:169213) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-methylsulanylhexyl acetate
Manual XrefsDatabases
55860ChemSpider
HMDB0032427HMDB
Registry NumbersSources
CAS:51755-85-2ChemIDplus