Compound Identification
SMILES
O[C@H]1CC2=C(O[C@H]1C1=CC(O)=C(O)C(O)=C1)C1=C(O[C@]34C5C(C(=O)C3=O)C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]([C@@H](OC5=O)[C@@H]14)[C@@H]1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(OC4=C(C=C(O)C(O)=C4O)C(O)=O)C(O)=C3O)C(=O)OC[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C=C2O
InChIKey
InChIKey=XEDDHMSDLGFNES-UWKOSNKFSA-N
Formula
C62H42O36
Mass
1362.982
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Complex tannins
-
Class
Tannins
-
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 Hexacarboxylic acids and derivatives 8-prenylated flavans 5-hydroxyflavonoids 4'-hydroxyflavonoids 3-hydroxyflavonoids 3'-hydroxyflavonoids Galloyl esters Gallic acids p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers 1-benzopyrans Pyrogallols and derivatives Coumarans Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Delta valerolactones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Secondary alcohols Ketones Carboxylic acid esters Polyols Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Epigallocatechin - Catechin - 8-prenylated flavan - Hexacarboxylic acid or derivatives - Hydroxyflavonoid - Flavan-3-ol - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - 3'-hydroxyflavonoid - Flavan - Galloyl ester - Gallic acid - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Diaryl ether - 1-benzopyran - Hydroxybenzoic acid - Benzopyran - Chromane - Benzoate ester - Coumaran - Pyrogallol derivative - Benzoic acid - Benzoic acid or derivatives - Benzenetriol - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Delta_valerolactone - Delta valerolactone - Alkyl aryl ether - Benzenoid - Oxane - Monocyclic benzene moiety - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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