Compound Identification
SMILES
COC(=O)[C@H]1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(OC)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=NCDRCVIENURMRZ-XURRJDJLSA-N
Formula
C23H22O11
Mass
474.418
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-7-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-7-O-glucuronides
Alternative Parents
Flavonoid-7-O-glycosides 4'-O-methylated flavonoids 5-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides Chromones O-glycosyl compounds Anisoles Phenoxy compounds Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Beta hydroxy acids and derivatives Oxanes Monosaccharides Heteroaromatic compounds Vinylogous acids Methyl esters Secondary alcohols Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Pyran - Monosaccharide - Oxane - Heteroaromatic compound - Methyl ester - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Acetal - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.
External Descriptors
Not available