Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H](OC2=C(OS(O)(=O)=O)C=CC(=C2)C2=C(OS(O)(=O)=O)C(=O)C3=CC=CC=C3O2)O[C@H]([C@@H]1O)C(O)=O
InChIKey
InChIKey=OBXKQJZBYOZFND-BJQFSTQPSA-N
Formula
C21H18O17S2
Mass
606.48
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
3-sulfated flavonoids Flavones Phenolic glycosides O-glucuronides Chromones O-glycosyl compounds Phenylsulfates Phenol ethers Phenoxy compounds Beta hydroxy acids and derivatives Pyranones and derivatives Oxanes Sulfuric acid monoesters Monosaccharides Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Polyols Carboxylic acids Monocarboxylic acids and derivatives Acetals Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3p-o-glucuronide - 3-sulfated flavonoid - Flavone - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - Phenylsulfate - Arylsulfate - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - Beta-hydroxy acid - Pyranone - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Monosaccharide - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Oxane - Pyran - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - Acetal - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - 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