Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O[C@@H]1O[C@@H]([C@@H](OS([O-])(=O)=O)[C@@H](O)[C@H]1OS([O-])(=O)=O)C(O)=O)=C(O)C=C2O
InChIKey
InChIKey=MANWEJPUTNQLGH-XNIUVOMHSA-L
Formula
C22H18O18S2
Mass
634.49
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
-
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 7-hydroxyflavonoids 5-hydroxyflavonoids Flavones Phenolic glycosides O-glucuronides Hexoses Chromones O-glycosyl compounds Monosaccharide sulfates Anisoles Methoxybenzenes Phenoxy compounds Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Oxanes Alkyl sulfates Vinylogous acids Heteroaromatic compounds Secondary alcohols Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Organic oxides Carbonyl compounds 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 - Benzopyran - Monosaccharide sulfate - 1-benzopyran - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Sulfuric acid ester - Pyran - Benzenoid - Sulfuric acid monoester - Monosaccharide - Sulfate-ester - Alkyl sulfate - Oxane - Heteroaromatic compound - Vinylogous acid - Organic sulfuric acid or derivatives - Secondary alcohol - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - 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