Compound Identification
SMILES
CC(=O)CCC(=O)O[C@H]1[C@H](OCC2=CC=CC=C2)[C@H](O[C@@H](O[C@@H]2[C@H]3CO[C@H](O3)[C@H](OC(=O)C3=CC=CC=C3)[C@H]2OCC2=CC=CC=C2)[C@@H]1OC(=O)C1=CC=CC=C1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=AGVKMQLETHWICW-UMQZDMAJSA-N
Formula
C52H50O15
Mass
914.957
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
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Level 7
Glucuronides
- Level 8 O-glucuronides
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Level 7
Glucuronides
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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
Tetracarboxylic acids and derivatives Disaccharides O-glycosyl compounds Benzoic acid esters Benzyloxycarbonyls Benzylethers Benzoyl derivatives Gamma-keto acids and derivatives Oxepanes Fatty acid esters Oxanes Pyrans 1,3-dioxolanes Carboxylic acid esters Ketones Acetals Dialkyl ethers Oxacyclic compounds Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Tetracarboxylic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzyloxycarbonyl - Benzoic acid or derivatives - Benzylether - Benzoyl - Gamma-keto acid - Fatty acid ester - Oxepane - Pyran - Keto acid - Benzenoid - Oxane - Monocyclic benzene moiety - Fatty acyl - Meta-dioxolane - Ketone - Carboxylic acid ester - Acetal - Ether - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Aldehyde - Organic oxide - Carbonyl group - Aromatic heteropolycyclic 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