Compound Identification
SMILES
COC1=C(O)C(O)=C2C(OC(C3=CC(O)=C(O)C=C3)=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)=O)C2=O)=C1
InChIKey
InChIKey=LXRXCGFZDXOZBX-GPKVJQJWSA-N
Formula
C37H36O22
Mass
832.673
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
-
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 7-O-methylated flavonoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids Flavones Fatty acyl glycosides of mono- and disaccharides O-glucuronides Cinnamic acid esters Coumaric acids and derivatives Chromones Disaccharides O-glycosyl compounds Catechols Styrenes Anisoles Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Alkyl aryl ethers Pyranones and derivatives Dicarboxylic acids and derivatives Oxanes Heteroaromatic compounds Enoate esters Vinylogous acids Secondary alcohols Oxacyclic compounds Carboxylic acids Acetals Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glucuronide - Flavonoid-3-o-glycoside - 7-methoxyflavonoid-skeleton - Flavone - Hydroxyflavonoid - 3'-hydroxyflavonoid - 6-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Chromone - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Styrene - Catechol - Anisole - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Fatty acid ester - Phenol - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Pyran - Dicarboxylic acid or derivatives - Oxane - Hydroxy acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Acetal - Ether - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic oxide - Alcohol - Hydrocarbon derivative - Carbonyl group - 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
LIPIDMAPS (LMPK12112968) : Flavones and Flavonols