Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)C(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1O
InChIKey
InChIKey=LOMRWTBYEBGQIJ-HGKZGIPSSA-N
Formula
C36H38O20
Mass
790.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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
Flavonoid-3-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Gallic acid and derivatives p-Hydroxybenzoic acid alkyl esters Chromones Disaccharides O-glycosyl compounds M-methoxybenzoic acids and derivatives Dimethoxybenzenes Methoxyphenols Anisoles Benzoyl derivatives Catechols Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Complex tannin - Flavonoid-3-o-glycoside - Flavonoid o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - 7-hydroxyflavonoid - Gallic acid or derivatives - Disaccharide - P-hydroxybenzoic acid ester - Glycosyl compound - P-hydroxybenzoic acid alkyl ester - M-methoxybenzoic acid or derivatives - O-glycosyl compound - Chromone - Benzopyran - Benzoate ester - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - 1-benzopyran - Benzoic acid or derivatives - Phenol ether - Anisole - Benzoyl - Methoxybenzene - Phenoxy compound - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Pyran - Benzenoid - Oxane - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Alcohol - 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