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
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 Depsipeptides Quassinoids Phenylalanine and derivatives Naphthopyrans Quinic acids and derivatives Alpha amino acid esters Naphthalenes Amphetamines and derivatives Tricarboxylic acids and derivatives Furopyrans Oxepanes Fatty acid esters Delta valerolactones Cyclohexenones Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Alpha-branched alpha,beta-unsaturated ketones Tetrahydrofurans Methyl esters Furans Enones Carbamate esters Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Organic carbonic acids and derivatives Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
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