Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1OC2=CC(O)=CC(O)=C2CC1OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChIKey
InChIKey=BVSUBJQDBAUBQZ-KDNHCENWSA-N
Formula
C22H24O12
Mass
480.422
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 Catechins 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids O-glucuronides Hexoses O-glycosyl compounds 1-benzopyrans Methoxyphenols Methoxybenzenes Phenoxy compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Alkyl aryl ethers Oxanes Pyrans Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Acetals Polyols Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glucuronide - Flavonoid-3-o-glycoside - Catechin - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavan-3-ol - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavan - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Methoxyphenol - 1-benzopyran - Benzopyran - Chromane - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Beta-hydroxy acid - Phenol - Monosaccharide - Hydroxy acid - Pyran - Oxane - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Polyol - Ether - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - 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