Compound Identification
SMILES
O[C@H]1[C@H](O)[C@H](O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O
InChIKey
InChIKey=NKYQUGHUBXCWFU-DTCGYDHASA-N
Formula
C28H22O17
Mass
630.467
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavonoid glycosides
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Level 5
Flavonoid O-glycosides
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Level 6
Flavonoid O-glucuronides
- Level 7 Flavonoid-3-O-glucuronides
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Level 6
Flavonoid O-glucuronides
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Level 5
Flavonoid O-glycosides
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Subclass
Flavonoid glycosides
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides - Flavonoid O-glucuronides
Direct Parent
Flavonoid-3-O-glucuronides
Alternative Parents
Flavonoid-3-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones O-glucuronides Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Chromones O-glycosyl compounds Pyrogallols and derivatives Benzoyl derivatives Catechols 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxanes Dicarboxylic acids and derivatives Monosaccharides Vinylogous acids Heteroaromatic compounds Carboxylic acid esters 1,2-diols Secondary alcohols Carboxylic acids Acetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glucuronide - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Galloyl ester - Gallic acid or derivatives - Chromone - P-hydroxybenzoic acid alkyl ester - Glycosyl compound - P-hydroxybenzoic acid ester - M-hydroxybenzoic acid ester - O-glycosyl compound - Benzopyran - Benzoate ester - 1-benzopyran - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Benzoyl - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Pyranone - Phenol - Monosaccharide - Oxane - Pyran - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Polyol - Carboxylic acid - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.
External Descriptors
Not available