Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC2=CC(O)=C3[C@H]([C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@H](OC3=C2)C2=CC(O)=C(O)C(O)=C2)C2=C(O)C=C(O)C=C2O)O[C@@H]1COC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=RYRNUMFSMGLTQX-KOIYDAQESA-N
Formula
C48H40O27
Mass
1048.821
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
-
Level 6
Catechins
- Level 7 Catechin gallates
-
Level 6
Catechins
-
Level 5
Flavan-3-ols
-
Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Flavan-3-ols - Catechins
Direct Parent
Catechin gallates
Alternative Parents
Epigallocatechins Flavonoid-7-O-glycosides Neoflavonoid 7-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Neoflavans Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Galloyl esters Alkyl glycosides p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters O-glycosyl compounds 1-benzopyrans Phloroglucinols and derivatives Pyrogallols and derivatives Tricarboxylic acids and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Monosaccharides 1,2-diols Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin gallate - Epigallocatechin - Flavonoid o-glycoside - Neoflavonoid-7-o-glycoside - Flavonoid-7-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Neoflavan - Neoflavonoid skeleton - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Galloyl ester - Gallic acid or derivatives - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - P-hydroxybenzoic acid ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid alkyl ester - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Tricarboxylic acid or derivatives - Benzenetriol - Benzoic acid or derivatives - Phloroglucinol derivative - Pyrogallol derivative - Benzoyl - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxane - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin.
External Descriptors
Not available