Structure Information
Structure

Compound Identification

SMILES

CC(=O)C(CC(O)=O)C1C(=O)CC(C)(C)CC1=O

InChIKey

InChIKey=FRFVBFCUCJJIDH-UHFFFAOYSA-N

Formula

C13H18O5

Mass

254.282

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Menthane monoterpenoids

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Monocyclic monoterpenoid - P-menthane monoterpenoid - Carbocyclic fatty acid - Gamma-keto acid - 1,3-diketone - Short-chain keto acid - Keto acid - Fatty acyl - 1,3-dicarbonyl compound - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.

External Descriptors

Not available

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