Compound Identification
SMILES
[2H]C([2H])([2H])OC1=C(C)C2=C(C(=O)OC2)C(O)=C1CC=C(C)CCC(=O)O[C@@H]1OC([C@@H](O)C(O)[C@@H]1O)C(O)=O
InChIKey
InChIKey=QBMSTEZXAMABFF-SRFXNXIWSA-N
Formula
C23H28O12
Mass
499.483
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
Phthalides Tricarboxylic acids and derivatives Anisoles Alkyl aryl ethers Beta hydroxy acids and derivatives Fatty acid esters Pyrans Oxanes Monosaccharides Vinylogous acids Secondary alcohols Carboxylic acid esters Lactones Carboxylic acids Acetals Oxacyclic compounds Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Isobenzofuranone - Phthalide - Isocoumaran - Tricarboxylic acid or derivatives - Anisole - Alkyl aryl ether - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Hydroxy acid - Benzenoid - Monosaccharide - Pyran - Oxane - Vinylogous acid - Secondary alcohol - Lactone - Carboxylic acid ester - Acetal - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Polyol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - 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