Structure Information
Structure

Compound Identification

SMILES

COC(=O)C=C(C(=O)OC)C1=C(CC(C)(C)CC1=O)N1CCCC1

InChIKey

InChIKey=QEVMPNQWHLLUCC-UHFFFAOYSA-N

Formula

C18H25NO5

Mass

335.4

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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 heteromonocyclic compounds

Substituents

P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexenone - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Pyrrolidine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Enamine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic 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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