Structure Information
Structure

Compound Identification

SMILES

COC(=O)C12OC[C@@]34[C@H]1[C@@H](OC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(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=BOLDDWSLRXDMDB-CNLVNLSQSA-N

Formula

C35H43NO13

Mass

685.723

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Tannins

Subclass

Hydrolyzable tannins

Intermediate Tree Nodes

Not available

Direct Parent

Hydrolyzable tannins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Triterpenoid - Hydrolyzable tannin - C-20 quassinoid skeleton - Depsipeptide - Quassinoid - Phenylalanine or derivatives - Naphthopyran - Quinic acid - Alpha-amino acid ester - Naphthalene - Amphetamine or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Furopyran - Cyclohexenone - Oxepane - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Beta-hydroxy acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Methyl ester - Carbamic acid ester - Tetrahydrofuran - Furan - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Carbonic acid derivative - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - 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

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