Compound Identification
SMILES
Oc1cc(cc(O)c1O)C(=O)OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(O)c(O)c(O)cc1C(=O)OC1C3OC(=O)C4=CC(=O)C5(O)Oc6c(O)c(O)cc(c6C4C5(O)O)C(=O)OC1C(OC(=O)c1cc(O)c(O)c(O)c1)OC3COC2=O
InChIKey
InChIKey=AUXXWECCWRIXBP-UHFFFAOYSA-N
Formula
C82H56O53
Mass
1889.297
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
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Class
Tannins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Tannins
Subclass
Hydrolyzable tannins
Intermediate Tree Nodes
Not available
Direct Parent
Hydrolyzable tannins
Alternative Parents
Galloyl esters Macrolides and analogues p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers 1-benzopyrans Pyrogallols and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Oxanes Monosaccharides Enoate esters Hemiacetals Lactones Oxacyclic compounds Polyols Carbonyl hydrates Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Macrolide - Galloyl ester - Gallic acid or derivatives - Diaryl ether - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzopyran - 1-benzopyran - Chromane - Benzoate ester - Benzoic acid or derivatives - Benzenetriol - Pyrogallol derivative - Benzoyl - Phenol ether - Phenoxy compound - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Cyclohexenone - Oxane - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Hemiacetal - Lactone - Ketone - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Carbonyl hydrate - Carboxylic acid derivative - Ether - Organic oxide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
External Descriptors
Not available