Compound Identification
SMILES
O=C(O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]2OC(=O)C3=CC(OCC4=CC=CC=C4)=C4OC(OC4=C3C3=C(OCC4=CC=CC=C4)C4=C(OC(O4)(C4=CC=CC=C4)C4=CC=CC=C4)C=C3C(=O)O[C@@H]12)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)=C1
InChIKey
InChIKey=YJEJCXPZZXSUGA-XGCHHWJFSA-N
Formula
C95H72O18
Mass
1501.603
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
Diphenylmethanes Gallic acid and derivatives Benzoic acid esters Tricarboxylic acids and derivatives Benzodioxoles Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Ketals Monosaccharides Oxanes 1,3-dioxanes Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Diphenylmethane - Gallic acid or derivatives - Benzoate ester - Benzodioxole - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Phenol ether - Phenoxy compound - Alkyl aryl ether - Ketal - Monocyclic benzene moiety - Meta-dioxane - Benzenoid - Oxane - Monosaccharide - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - 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