Compound Identification
SMILES
CCOC(=O)CCC(O)(C(C(O)=O)C1=CC=CC=C1)C(C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=GTWJBJVDJLVBGK-UHFFFAOYSA-N
Formula
C22H24O7
Mass
400.427
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Tricarboxylic acids and derivatives Fatty acid esters Benzene and substituted derivatives Tertiary alcohols Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available