Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(C)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C

InChIKey

InChIKey=XCDBWQXBMVRXSQ-WVQRXBFSSA-N

Formula

C16H26O4

Mass

282.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Abscisic acids and derivatives

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Abscisic acid - Cyclohexenone - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as abscisic acids and derivatives. These are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety.

External Descriptors

Not available

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