Compound Identification
SMILES
OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O.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(O)=C1
InChIKey
InChIKey=FVDMXKCJVLZPBT-IUFJOMBNSA-N
Formula
C37H28O16
Mass
728.615
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
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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 7-hydroxyflavonoids 5-hydroxyflavonoids Hydroxyisoflavonoids Isoflavones 4'-hydroxyflavonoids 3'-hydroxyflavonoids Galloyl esters m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters Chromones Pyrogallols and derivatives Benzoyl derivatives Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Catechin gallate - Epigallocatechin - Isoflavone - Hydroxyflavonoid - Hydroxyisoflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - Isoflavonoid - Isoflavonoid skeleton - Galloyl ester - Gallic acid or derivatives - Chromone - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - Pyranone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Carboxylic acid ester - Oxacycle - Ether - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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