Compound Identification
SMILES
COC1=CC=CC=C1C1=CC(=O)C2=C(O1)C(OC)=C(O[C@@H]1OC([C@@H](O)[C@H](O)C1O)C(O)=O)C=C2O
InChIKey
InChIKey=OQYSDFZSKXKZQF-XWUNBYSCSA-N
Formula
C23H22O12
Mass
490.417
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 8-O-methylated flavonoids 2'-O-methylated flavonoids Flavones 5-hydroxyflavonoids Phenolic glycosides O-glucuronides O-glycosyl compounds Chromones Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Pyranones and derivatives Alkyl aryl ethers Monosaccharides Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 2p-methoxyflavonoid-skeleton - 8-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - Hydroxyflavonoid - Flavone - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Glycosyl compound - Chromone - 1-benzopyran - Benzopyran - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Pyranone - Alkyl aryl ether - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyran - Hydroxy acid - Oxane - Monosaccharide - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Carboxylic acid - 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
LIPIDMAPS (LMPK12111291) : Flavones and Flavonols