Compound Identification
SMILES
COC1=CC2=C(C(OS(O)(=O)=O)=C1)C(=O)C(OS(O)(=O)=O)=C(O2)C1=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C(OS(O)(=O)=O)C=C1
InChIKey
InChIKey=BDLZZWXHVPQDMW-UHFFFAOYSA-N
Formula
C22H20O22S3
Mass
732.56
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
- 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
3-sulfated flavonoids 7-O-methylated flavonoids Flavones Phenolic glycosides O-glucuronides Phenylsulfates Chromones O-glycosyl compounds Phenoxy compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Beta hydroxy acids and derivatives Sulfuric acid monoesters Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Acetals Carboxylic acids Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3p-o-glucuronide - 3-sulfated flavonoid - 7-methoxyflavonoid-skeleton - Flavone - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - Phenylsulfate - Benzopyran - 1-benzopyran - Arylsulfate - Phenol ether - Anisole - Phenoxy compound - Beta-hydroxy acid - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Hydroxy acid - Monosaccharide - Pyran - Oxane - Organic sulfuric acid or derivatives - Heteroaromatic compound - Secondary alcohol - Oxacycle - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Acetal - Carbonyl group - Organooxygen compound - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - 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