Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=CC(=C2)C2=C(OS(O)(=O)=O)C(=O)C3=CC=CC=C3O2)O[C@H]([C@@H]1O)C(O)=O
InChIKey
InChIKey=WMYNSQXLIUQKAK-BJQFSTQPSA-N
Formula
C21H18O14S
Mass
526.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavonoid glycosides
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Level 5
Flavonoid O-glycosides
- Level 6 Flavonoid O-glucuronides
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Level 5
Flavonoid O-glycosides
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Subclass
Flavonoid glycosides
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Flavonoid O-glucuronides
Alternative Parents
3-sulfated flavonoids 4'-hydroxyflavonoids Flavones Monohydroxyflavonoids Phenolic glycosides O-glucuronides Chromones O-glycosyl compounds Arylsulfates Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Beta hydroxy acids and derivatives Sulfuric acid monoesters Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Polyols Carboxylic acids Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3p-o-glucuronide - 3-sulfated flavonoid - 4'-hydroxyflavonoid - Monohydroxyflavonoid - Hydroxyflavonoid - Flavone - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Chromone - 1-benzopyran - Arylsulfate - Benzopyran - Phenol ether - Phenoxy compound - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Beta-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Hydroxy acid - Sulfate-ester - Sulfuric acid monoester - Monosaccharide - Pyran - Oxane - Organic sulfuric acid or derivatives - Heteroaromatic compound - Secondary alcohol - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.
External Descriptors
Not available