Compound Identification
SMILES
COC(=O)C12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
InChIKey
InChIKey=AKSGLPBROCFVSE-MXQUXWTKSA-N
Formula
C32H42O16
Mass
682.672
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 Naphthopyranones Fatty acyl glycosides of mono- and disaccharides Quinic acids and derivatives Fatty alcohol esters Alkyl glycosides Naphthalenes Tricarboxylic acids and derivatives Furopyrans Fatty alcohols Pyranones and derivatives Oxepanes Fatty acid esters Delta valerolactones Cyclohexenones Beta hydroxy acids and derivatives Oxanes Monosaccharides Alpha-branched alpha,beta-unsaturated ketones Tetrahydrofurans Methyl esters Furans Enones Enoate esters Acryloyl compounds Secondary alcohols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Hydrolyzable tannin - C-20 quassinoid skeleton - Quassinoid - Naphthopyranone - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Naphthopyran - Quinic acid - Fatty alcohol ester - Alkyl glycoside - Naphthalene - Tricarboxylic acid or derivatives - Furopyran - Fatty alcohol - Cyclohexenone - Pyranone - Oxepane - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Beta-hydroxy acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Pyran - Oxane - Monosaccharide - Hydroxy acid - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tetrahydrofuran - Furan - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Secondary alcohol - Lactone - Ketone - 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