EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:174171 - 3-[(2-Methyl-3-furanyl)thio]-4-heptanone

ChEBI IDCHEBI:174171
ChEBI Name3-[(2-Methyl-3-furanyl)thio]-4-heptanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O2S
Net Charge0
Average Mass226.341
Monoisotopic Mass226.10275
SMILESCCCC(=O)C(CC)Sc1ccoc1C
InChIInChI=1S/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3
InChIKeyGFRRQSASJZMMJC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(2-Methyl-3-furanyl)thio]-4-heptanone (CHEBI:174171) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
3-(2-methyluran-3-yl)sulanylheptan-4-one
Manual XrefsDatabases
39738ChemSpider
HMDB0037158HMDB
Registry NumbersSources
CAS:61295-41-8ChemIDplus