Compound Identification
SMILES
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)CC(C)C)C(O)O[C@@H]3C[C@H]1C(C)C(O)C(O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
InChIKey
InChIKey=UJCWTTPZAOPWQR-BBYIKHOBSA-N
Formula
C26H40O11
Mass
528.595
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
Triterpenoids Quassinoids Naphthopyrans Quinic acids and derivatives Fatty alcohol esters Naphthalenes Furopyrans Oxepanes Fatty acid esters Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Dicarboxylic acids and derivatives Tetrahydrofurans Methyl esters Furans Secondary alcohols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Hydrolyzable tannin - Quassinoid - Naphthopyran - Quinic acid - Fatty alcohol ester - Naphthalene - Furopyran - Oxepane - Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Methyl ester - Tetrahydrofuran - Furan - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic 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