Wine lactone (CHEBI:195774)

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ChEBI Ontology

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Wine lactone

ChEBI ID	CHEBI:195774

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H14O2

Net Charge

Average Mass

166.220

Monoisotopic Mass

166.09938

InChI

InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3

InChIKey

NQWBFQXRASPNLB-UHFFFAOYSA-N

SMILES

O1C2C(C(C1=O)C)CCC(=C2)C

ChEBI Ontology
Outgoing	Wine lactone (CHEBI:195774) is a benzofurans (CHEBI:35259)

IUPAC Name

3,6-dimethyl-3a,4,5,7a-tetrahydro-3H-1-benzouran-2-one