Compound Identification
SMILES
[H][C@]1(OC2=C(OC3=CC(OC)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)O[C@@]([H])(C(O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChIKey
InChIKey=QZBZMHBKELXHBZ-XDNQMCPQSA-N
Formula
C22H20O12
Mass
476.39
Taxonomic Classification
Taxonomy Tree
-
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 7-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavones O-glucuronides Chromones O-glycosyl compounds Anisoles 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Oxanes Benzene and substituted derivatives Monosaccharides Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Carboxylic acids Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glucuronide - Flavonoid-3-o-glycoside - 7-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Anisole - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Beta-hydroxy acid - Oxane - Pyran - Monosaccharide - Hydroxy acid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Polyol - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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