Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H](OC(=O)c2ccccc2O)O[C@H]([C@@H]1O)C(O)=O
InChIKey
InChIKey=IXVVXKRKCLJCKA-OAZVDXGHSA-N
Formula
C13H14O9
Mass
314.246
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
-
Level 6
Glucuronic acid derivatives
-
Level 7
Glucuronides
- Level 8 O-glucuronides
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Level 7
Glucuronides
-
Level 6
Glucuronic acid derivatives
-
Level 5
Sugar acids and derivatives
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
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 - Glucuronic acid derivatives - Glucuronides
Direct Parent
O-glucuronides
Alternative Parents
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Pyrans Dicarboxylic acids and derivatives Monosaccharides Oxanes Vinylogous acids Secondary alcohols Carboxylic acid esters Carboxylic acids Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Beta-hydroxy acid - Pyran - Hydroxy acid - Monosaccharide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Oxane - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
External Descriptors
Not available