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-CPSAJTAXSA-N
Formula
C22H20O18S2
Mass
636.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavonoid glycosides
-
Level 5
Flavonoid O-glycosides
-
Level 6
Flavonoid O-glucuronides
- Level 7 Flavonoid-8-O-glucuronides
-
Level 6
Flavonoid O-glucuronides
-
Level 5
Flavonoid O-glycosides
-
Subclass
Flavonoid glycosides
-
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 Flavones 7-hydroxyflavonoids 5-hydroxyflavonoids Phenolic glycosides O-glucuronides O-glycosyl compounds Chromones Monosaccharide sulfates Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Oxanes Sulfuric acid monoesters Alkyl sulfates Heteroaromatic compounds Vinylogous acids Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - 4p-methoxyflavonoid-skeleton - Flavone - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Chromone - Monosaccharide sulfate - Benzopyran - 1-benzopyran - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Pyranone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Sulfuric acid ester - Benzenoid - Monosaccharide - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - 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