Structure Information
Structure

Compound Identification

SMILES

C\C(\C=C\[C@]1(O)C(C)=CC(=O)C[C@]1(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/C([O-])=O

InChIKey

InChIKey=NDFUYJPVVCJYNZ-VVYOXVJQSA-M

Formula

C21H29O10

Mass

441.454

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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 heteromonocyclic compounds

Substituents

Abscisic acid - Saccharolipid - Terpene glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Medium-chain fatty acid - Branched fatty acid - Cyclohexenone - Heterocyclic fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Monosaccharide - Oxane - Unsaturated fatty acid - Tertiary alcohol - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid salt - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Carboxylic acid - Primary alcohol - Aldehyde - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Organic anion - Aliphatic heteromonocyclic 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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