Compound Identification
SMILES
CCOCCC1=C(C=CC(O)=O)C=CC(OC)=C1.CCCCCCCCOC(=O)C(OC)=CC1=CC=CC=C1
InChIKey
InChIKey=LBVWFHMOKQVXJN-UHFFFAOYSA-N
Formula
C32H44O7
Mass
540.697
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpyruvic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyruvic acid derivatives
Alternative Parents
Cinnamic acid esters Cinnamic acids Fatty alcohol esters Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fatty acid esters Enoate esters Dialkyl ethers Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Cinnamic acid ester - Enol-phenylpyruvate - Cinnamic acid - Cinnamic acid or derivatives - Fatty alcohol ester - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
External Descriptors
Not available