Compound Identification
SMILES
CC1=C(CO)C=CC=C1NC1=CC=CC=C1C(=O)OC1OC(C(O)C(O)C1O)C(O)=O
InChIKey
InChIKey=GQQNPPRHZMQONU-UHFFFAOYSA-N
Formula
C21H23NO9
Mass
433.413
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
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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
Aminobenzoic acids and derivatives Benzoic acid esters Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Benzyl alcohols Beta hydroxy acids and derivatives Pyrans Oxanes Dicarboxylic acids and derivatives Monosaccharides Vinylogous amides Carboxylic acid esters Amino acids Secondary alcohols Carboxylic acids Polyols Acetals Secondary amines Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Aromatic alcohols Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzyl alcohol - Aniline or substituted anilines - Aminotoluene - Beta-hydroxy acid - Toluene - Benzenoid - Dicarboxylic acid or derivatives - Hydroxy acid - Pyran - Monosaccharide - Monocyclic benzene moiety - Oxane - Vinylogous amide - Carboxylic acid ester - Secondary alcohol - Amino acid or derivatives - Amino acid - Acetal - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Polyol - Organoheterocyclic compound - Aromatic alcohol - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Amine - Primary 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