Compound Identification
SMILES
COC1=C(O)C=C2OC(C3=CC(O)=C(O[C@@H]4OC([C@@H](O)C(O)C4O)C(O)=O)C=C3)=C(OC)C(=O)C2=C1O
InChIKey
InChIKey=YIDAQAJEKNRLJS-IBIMWZLVSA-N
Formula
C23H22O14
Mass
522.415
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 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
Direct Parent
Flavonoid O-glucuronides
Alternative Parents
6-O-methylated flavonoids 3-O-methylated flavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids Flavones 3'-hydroxyflavonoids Phenolic glycosides Fatty acyl glycosides of mono- and disaccharides O-glucuronides 3-methoxychromones Hexoses Alkyl glycosides O-glycosyl compounds Phenoxy compounds Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Alkyl aryl ethers Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-4p-o-glucuronide - 6-methoxyflavonoid-skeleton - 3-methoxyflavonoid-skeleton - Hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - 3'-hydroxyflavonoid - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Fatty acyl glycoside - O-glucuronide - 1-o-glucuronide - 3-methoxychromone - Glucuronic acid or derivatives - Hexose monosaccharide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monosaccharide - Hydroxy acid - Pyran - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Oxane - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Carbonyl group - 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
LIPIDMAPS (LMPK12112918) : Flavones and Flavonols