Compound Identification
SMILES
OC1C(OC2=C(O)C=CC(=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)OC(C(O)C1O)C(O)=O
InChIKey
InChIKey=ORAFILWCJWXTDM-UHFFFAOYSA-O
Formula
C21H19O12
Mass
463.37
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
Anthocyanin-3'-O-glycosides 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 3-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glucuronides O-glycosyl compounds 1-benzopyrans Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Oxanes Monosaccharides Pyrans Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3p-o-glucuronide - Anthocyanidin-3p-o-glycoside - Anthocyanin - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Oxane - Pyran - Monosaccharide - Hydroxy acid - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Carbonyl group - Organic oxide - Organic cation - 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
Not available