Compound Identification
SMILES
O[C@@H]([C@@H](O)[C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)[C@@H](O)C(O)=O
InChIKey
InChIKey=KJWXZHRHCSMFSY-JLIMGVALSA-N
Formula
C13H14O12
Mass
362.243
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
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Level 5
Sugar acids and derivatives
- Level 6 Glucuronic acid derivatives
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Level 5
Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives
Direct Parent
Glucuronic acid derivatives
Alternative Parents
Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Pyrogallols and derivatives Medium-chain hydroxy acids and derivatives Benzoyl derivatives Medium-chain fatty acids 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Hydroxy fatty acids Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Monosaccharides Carboxylic acid esters 1,2-diols Secondary alcohols Carboxylic acids Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Glucuronic acid or derivatives - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Medium-chain hydroxy acid - Pyrogallol derivative - Benzoyl - Medium-chain fatty acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Hydroxy fatty acid - Phenol - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Hydroxy acid - Carboxylic acid ester - Secondary alcohol - 1,2-diol - Polyol - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
External Descriptors
Not available