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(O)=C1C1=C(O)C(O)=C(O)C=C1[C@@H]1OC2=CC(O)=CC(O)=C2C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=YUULFXAQUWEYNP-BAGFJTQTSA-N
Formula
C44H34O22
Mass
914.734
Taxonomic Classification
Taxonomy Tree
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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
Catechin gallates Epigallocatechins 5-hydroxyflavonoids 7-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Biphenols Galloyl esters Biphenyls and derivatives p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters 1-benzopyrans Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Carboxylic acid esters Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Catechin gallate - Epigallocatechin - Catechin - Hydroxyflavonoid - Flavan-3-ol - 3'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Flavan - Biphenol - Galloyl ester - Biphenyl - Gallic acid or derivatives - P-hydroxybenzoic acid ester - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Polyol - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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