Compound Identification
SMILES
OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1
InChIKey
InChIKey=LGGSDHMXURUIDJ-YIXXDRMTSA-N
Formula
C29H22O15
Mass
610.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
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Level 6
Catechins
- Level 7 Catechin gallates
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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
Hydrolyzable tannins Epigallocatechins 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Depsides and depsidones Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters 1-benzopyrans Phenol esters Pyrogallols and derivatives Phenoxy compounds Catechols Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin gallate - Hydrolyzable tannin - Epigallocatechin - Depside backbone - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Tannin - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Phenol ester - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Phenoxy compound - Catechol - Benzoyl - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Oxacycle - Ether - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - 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
LIPIDMAPS (LMPK12020126) : Flavans, Flavanols and Leucoanthocyanidins