Compound Identification
SMILES
CCC(C)(C)OC(=O)C(O)CC(O)C(=O)OCC(O)COC(=O)C1=CC=C(C=O)C=C1
InChIKey
InChIKey=IZXBAVYDDGSCKM-UHFFFAOYSA-N
Formula
C21H28O10
Mass
440.445
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
1,3-diacylglycerols Benzoyl derivatives Benzaldehydes Fatty acid esters Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1,3-acyl-sn-glycerol - Benzoate ester - Diradylglycerol - Diacylglycerol - Benzaldehyde - Benzoyl - Glycerolipid - Fatty acid ester - Aryl-aldehyde - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available