Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)OC2=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)=C1
InChIKey
InChIKey=XXRCMNSCVDUMPU-KMOGSMKMSA-N
Formula
C31H26O15
Mass
638.534
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
-
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 5-hydroxyflavonoids 4'-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides Cinnamic acid esters Coumaric acids and derivatives Chromones O-glycosyl compounds Methoxyphenols Styrenes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Beta hydroxy acids and derivatives Pyranones and derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Oxanes Monosaccharides Enoate esters Heteroaromatic compounds Vinylogous acids Secondary alcohols Oxacyclic compounds Polyols Carboxylic acids Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Methoxyphenol - Anisole - Styrene - Phenoxy compound - Methoxybenzene - Phenol ether - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - Oxane - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Pyran - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Enoate ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Ether - Carboxylic acid - Acetal - Carboxylic acid derivative - Polyol - Oxacycle - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - 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 (LMPK12111104) : Flavones and Flavonols