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Classification
Quality
Toxicity & Safety
Receptors

Compound Summary

General Compound Information

(3S,3aS,7aR)/(3R,3aR,7aS)-wine lactone ((3S,3aS,7aR)/(3R,3aR,7aS)-3a,4,5-7a-tetrahydro-3,6-dimethylbenzofuran-2(3H)-one)

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Description

Not Available

Synonyms

(-)-Wine lactone; 182699-77-0; Fema No. 4140; (-)-(3S,3aS,7aR)-Wine lactone; 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-, (3S,3aS,7aR)-;

3a,4,5,7a-tetrahydro-3,6-dimethylbenzofuran-2(3h)-one;PBI72OD596;(3S,3aS,7aR)-3,6-dimethyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one;UNII-PBI72OD596;SCHEMBL309410;DTXSID401316705;2-(2- Hydroxy-4-methyl-3-cyclohexenyl) propionic acid gamma-lactone;ZINC14588994;2-(2- Hydroxy-4-methyl-3-cyclohexenyl) propionic acid gamma-lactone [FHFI];2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-, (3S-(3alpha,3aalpha,7aalpha))-;(3s,3as,7ar)-3,6-dimethyl-3a,4,5,7a-tetrahydro-1-benzofuran-2(3h)-one;2-(2- HYDROXY-4-METHYL-3-CYCLOHEXENYL) PROPIONIC ACID .GAMMA.-LACTONE;2-(2- HYDROXY-4-METHYL-3-CYCLOHEXENYL) PROPIONIC ACID .GAMMA.-LACTONE [FHFI];2(3H)-BENZOFURANONE, 3A,4,5,7A-TETRAHYDRO-3,6-DIMETHYL-, (3S-(3.ALPHA.,3A.ALPHA.,7A.ALPHA.))-;

FlavorDB ID

2924

PUBCHEM ID

10820954

Molecular Weight

166.22 Molecular Formula

C10H14O2

Openeye Can Smiles

CC1C2CCC(=CC2OC1=O)C

IUPAC Inchikey

NQWBFQXRASPNLB-CIUDSAMLSA-N

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Similarity

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	coconut-like, dill-like	1.143e-4 µmol/L	tomato	details

Compound Toxicity

Toxicity and Food Additive Safety of this compound is not available!

Receptors

Receptor information of this compound is not available!

GC-MS Consensus Spectra

GC-MS Consensus Spectra information of this compound is not available!