Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O)C(O)=O)=C(O)C=C2O
InChIKey
InChIKey=XRHYTEAKTRSKAB-LQKXZRDHSA-M
Formula
C22H19O15S
Mass
555.44
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-8-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
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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-8-O-glucuronides
Alternative Parents
Flavonoid-8-O-glycosides 4'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides Hexoses Chromones O-glycosyl compounds Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Beta hydroxy acids and derivatives Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxanes Sulfuric acid monoesters Alkyl sulfates Heteroaromatic compounds Vinylogous acids 1,2-diols Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Acetals Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - 4p-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Monocyclic benzene moiety - Sulfate-ester - Sulfuric acid monoester - Hydroxy acid - Monosaccharide - Pyran - Oxane - Organic sulfuric acid or derivatives - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Carboxylic acid - Carboxylic acid derivative - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-8-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C8-position.
External Descriptors
Not available