Compound Identification
SMILES
COC(=O)C1(O)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=MTKUSANNGZTDMR-BJUMGEMPSA-N
Formula
C22H28O10
Mass
452.456
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 C-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
C-glucuronides
Alternative Parents
C-glycosyl compounds Benzoic acid esters Dioxolopyrans Benzoyl derivatives Ketals Pyrans Oxanes Monosaccharides Dicarboxylic acids and derivatives 1,3-dioxolanes Methyl esters Hemiacetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
C-glucuronide - C-glycosyl compound - Glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Dioxolopyran - Benzoyl - Ketal - Pyran - Oxane - Monosaccharide - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Methyl ester - Meta-dioxolane - Hemiacetal - Carboxylic acid ester - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Oxacycle - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as c-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a C-glycosidic bond.
External Descriptors
Not available