Compound Identification
SMILES
OC[C@H]1O[C@H](OC2=CC(O)=C3C[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@H](OC3=C2)C2=CC(O)=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=MVFJPVYFZQOLSA-YUZCJUIBSA-N
Formula
C34H38O21
Mass
782.657
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
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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
Epigallocatechins Flavonoid-7-O-glycosides 3'-hydroxyflavonoids 5-hydroxyflavonoids Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Galloyl esters Alkyl glycosides p-Hydroxybenzoic acid alkyl esters O-glycosyl compounds m-Hydroxybenzoic acid esters 1-benzopyrans Pyrogallols and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Resorcinols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Monosaccharides Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Acetals Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin gallate - Flavonoid o-glycoside - Flavonoid-4p-o-glycoside - Flavonoid-7-o-glycoside - Epigallocatechin - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Fatty acyl glycoside - Galloyl ester - Gallic acid or derivatives - Alkyl glycoside - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Glycosyl compound - O-glycosyl compound - Benzoate ester - 1-benzopyran - Chromane - Benzopyran - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Phenoxy compound - Benzoyl - Resorcinol - Phenol ether - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Polyol - Acetal - Ether - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen 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