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CHEBI:168706 - (+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone

ChEBI IDCHEBI:168706
ChEBI Name(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O2S
Net Charge0
Average Mass184.260
Monoisotopic Mass184.05580
SMILESCC(=O)C(C)Sc1ccoc1C
InChIInChI=1S/C9H12O2S/c1-6(10)8(3)12-9-4-5-11-7(9)2/h4-5,8H,1-3H3
InChIKeyAOEYNSLUBHRZPA-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)
(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone (CHEBI:168706) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
3-(2-methyluran-3-yl)sulanylbutan-2-one
Manual XrefsDatabases
HMDB0032401HMDB
15528527ChemSpider
Registry NumbersSources
CAS:61295-44-1ChemIDplus