Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=C(C=C2)C2=C(OS(O)(=O)=O)C(=O)C3=CC=CC=C3O2)O[C@H]([C@@H]1O)C(O)=O
InChIKey
InChIKey=JPOZJYPYBKWRSR-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 Flavones 3'-hydroxyflavonoids Monohydroxyflavonoids Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Alkyl glycosides Chromones O-glycosyl compounds Arylsulfates Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids Sulfuric acid monoesters Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Carboxylic acids Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-4p-o-glucuronide - 3-sulfated flavonoid - Monohydroxyflavonoid - Hydroxyflavonoid - Flavone - 3'-hydroxyflavonoid - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Chromone - Glycosyl compound - Arylsulfate - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Beta-hydroxy acid - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Hydroxy acid - Pyran - Monosaccharide - Oxane - Organic sulfuric acid or derivatives - Heteroaromatic compound - Secondary alcohol - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - 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