Compound Identification
SMILES
COC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(=O)C2=C(O)C3=C(OCO3)C=C2O1
InChIKey
InChIKey=ZPQIJJKOFIOFNV-QJAHINBCSA-N
Formula
C23H20O14
Mass
520.399
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
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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 4'-O-methylated flavonoids 3'-hydroxyflavonoids 5-hydroxyflavonoids Flavones O-glucuronides Chromones O-glycosyl compounds Methoxyphenols Benzodioxoles Anisoles Phenoxy compounds Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids Monosaccharides Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Carboxylic acids Polyols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glucuronide - Flavonoid-3-o-glycoside - 4p-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Methoxyphenol - Benzodioxole - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Beta-hydroxy acid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Oxane - Monosaccharide - Hydroxy acid - Pyran - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Ether - Monocarboxylic acid or derivatives - Acetal - Polyol - Organoheterocyclic compound - Carbonyl group - Organic oxygen compound - Organic oxide - Alcohol - Organooxygen 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