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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
- Level 5 Abscisic acids and derivatives
-
Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Saccharolipids Terpene glycosides Hexoses O-glycosyl compounds Medium-chain fatty acids Cyclohexenones Heterocyclic fatty acids Hydroxy fatty acids Methyl-branched fatty acids Unsaturated fatty acids Oxanes Tertiary alcohols Carboxylic acid salts Secondary alcohols Acetals Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives Aldehydes Primary alcohols Organic anions
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