Compound Identification
SMILES
OC[C@@H](O)[C@@H](O)[C@@H](OC(=O)C1=CC=CC=C1)C=O
InChIKey
InChIKey=BXFLLCBGZSJTRE-OUAUKWLOSA-N
Formula
C12H14O6
Mass
254.238
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
Pentoses Benzoyl derivatives Beta-hydroxy aldehydes Secondary alcohols Carboxylic acid esters Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Pentose monosaccharide - Benzoyl - Beta-hydroxy aldehyde - Monosaccharide - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Primary alcohol - 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