Compound Identification
SMILES
OC(CCCCC1=CC=C(C=C1)C#N)CC(O)CC(O)=O
InChIKey
InChIKey=QMGSBDMAFWMHST-UHFFFAOYSA-N
Formula
C16H21NO4
Mass
291.347
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Medium-chain hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain hydroxy acids and derivatives
Alternative Parents
Medium-chain fatty acids Benzonitriles Hydroxy fatty acids Beta hydroxy acids and derivatives Amino fatty acids Secondary alcohols Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Medium-chain hydroxy acid - Benzonitrile - Medium-chain fatty acid - Amino fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Cyanide - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available