Compound Identification
SMILES
COC1=CC(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)C(O)=O)=C(OC)C2=C1C(=O)C=C(O2)C1=CC=CC=C1
InChIKey
InChIKey=LMTRDSHAEJKTPM-XWUNBYSCSA-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
-
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-O-methylated flavonoids 8-O-methylated flavonoids Flavones Phenolic glycosides O-glucuronides Hexoses Chromones O-glycosyl compounds Anisoles Alkyl aryl ethers Pyranones and derivatives Beta hydroxy acids and derivatives Oxanes Benzene and substituted derivatives Heteroaromatic compounds Vinylogous esters Secondary alcohols Oxacyclic compounds Polyols Carboxylic acids Acetals Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 5-methoxyflavonoid-skeleton - 8-methoxyflavonoid-skeleton - Flavone - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - Chromone - Glycosyl compound - Benzopyran - 1-benzopyran - Anisole - Beta-hydroxy acid - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Hydroxy acid - Monosaccharide - Oxane - Heteroaromatic compound - Vinylogous ester - Secondary alcohol - Acetal - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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 (LMPK12111326) : Flavones and Flavonols