Compound Identification
SMILES
O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C([C@@H]1[C@@H]3OC(=O)C4=C(C(O)=C(O)C(O)=C14)C1=C(O)C(O)=C(O)C4=C1C(=O)O[C@H]3[C@@H]1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C41)=C(O)C=C2O
InChIKey
InChIKey=RAGDRWAJGDFGKH-TVHLQMGUSA-N
Formula
C56H38O32
Mass
1222.888
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Tannins
- Subclass Complex tannins
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Class
Tannins
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Tannins
Subclass
Complex tannins
Intermediate Tree Nodes
Not available
Direct Parent
Complex tannins
Alternative Parents
Epigallocatechins 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids Gallic acid and derivatives 1-benzopyrans 2-benzopyrans Pyrogallols and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Secondary alcohols Lactones Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Epigallocatechin - Catechin - Hydroxyflavonoid - Flavan-3-ol - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Flavan - Gallic acid or derivatives - 1-benzopyran - 2-benzopyran - Isochromane - Benzopyran - Chromane - Benzenetriol - Pyrogallol derivative - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Lactone - Secondary alcohol - Carboxylic acid ester - Ether - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin.
External Descriptors
Not available