Compound Identification
SMILES
OC1C(O)[C@H](OC2=C(O[C@@H]3OC([C@H](O)[C@H](O)C3O)C(O)=O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC([C@@H]1O)C(O)=O
InChIKey
InChIKey=ICPYZSUYRCEHSC-UMOQLKIHSA-N
Formula
C27H26O18
Mass
638.487
Taxonomic Classification
Taxonomy Tree
-
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
- 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
Direct Parent
Flavonoid O-glucuronides
Alternative Parents
7-hydroxyflavonoids 5-hydroxyflavonoids Flavones Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Alkyl glycosides Chromones O-glycosyl compounds Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous acids Secondary alcohols Acetals Polyols Carboxylic acids Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3p-o-glucuronide - Flavonoid-4p-o-glucuronide - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Oxane - Pyran - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Hydroxy acid - Fatty acyl - Dicarboxylic acid or derivatives - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.
External Descriptors
LIPIDMAPS (LMPK12110677) : Flavones and Flavonols