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CHEBI:195774 - Wine lactone

ChEBI IDCHEBI:195774
ChEBI NameWine lactone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O2
Net Charge0
Average Mass166.220
Monoisotopic Mass166.09938
SMILESCC1=CC2OC(=O)C(C)C2CC1
InChIInChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3
InChIKeyNQWBFQXRASPNLB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Wine lactone (CHEBI:195774) is a benzofurans (CHEBI:35259)
IUPAC Name 
3,6-dimethyl-3a,4,5,7a-tetrahydro-3H-1-benzouran-2-one
Manual XrefsDatabases
HMDB0029691HMDB
4932494ChemSpider