Compound Identification
SMILES
OCC1O[C@@H](OC2=CC(O)=C3C(OC(=O)C=C3C3=CC=CC=C3)=C2)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=KEEXAAKXZAAECE-VVWFOWEGSA-N
Formula
C21H20O9
Mass
416.382
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavonoid 7-O-glycosides
-
Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavonoid 7-O-glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoid 7-O-glycosides
Alternative Parents
Coumarin glycosides Neoflavones Phenolic glycosides Hexoses Hydroxycoumarins O-glycosyl compounds 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Oxanes Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid-7-o-glycoside - Coumarin-7-o-glycoside - Coumarin o-glycoside - 4-phenylcoumarin - Phenolic glycoside - Hexose monosaccharide - Hydroxycoumarin - Coumarin - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Pyran - Oxane - Heteroaromatic compound - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoid 7-o-glycosides. These are 7-O-glycosylated neoflavonoids. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
LIPIDMAPS (LMPK12100012) : Neoflavonoids