Compound Identification
SMILES
CCCCCC(=O)O[C@@H]1[C@H](C)[C@](C)(O)[C@@H](OC(=O)C2=CC=CC=C2)C2=CC(OC)=C(OC)C(O)=C2C2=C1C=C(O)C(OC)=C2OC
InChIKey
InChIKey=MCUMOYXRCBNWOB-JYILZQKMSA-N
Formula
C35H42O11
Mass
638.71
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
Dibenzocyclooctadiene lignans Benzoic acid esters Benzoyl derivatives Anisoles Fatty acid esters Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hydrolyzable tannin - Dibenzocyclooctane lignan - Benzoate ester - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Organic oxygen compound - Aromatic homopolycyclic 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) 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