Compound Identification
SMILES
COC(=O)[C@H](OC(=O)C1=CC=CC=C1)[C@@H](O)[C@H]1CCO[C@H](O1)C1=CC=CC=C1
InChIKey
InChIKey=ZKBOFPLTGWKSHB-BMQTXXJKSA-N
Formula
C21H22O7
Mass
386.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Benzoyl derivatives Fatty acid esters Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives 1,3-dioxanes Methyl esters Secondary alcohols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Meta-dioxane - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Methyl ester - Carboxylic acid ester - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Aromatic heteromonocyclic 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