Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](COC(C)=O)([C@@H]23)[C@@]11CC[C@]2(COC(=O)C2)O1

InChIKey

InChIKey=CDZQQSWVKUGOFL-BOCYPRFXSA-N

Formula

C22H30O7

Mass

406.475

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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 heteropolycyclic compounds

Substituents

Abscisic acid - Terpene lactone - Tricarboxylic acid or derivatives - Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aliphatic heteropolycyclic 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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