Compound Identification
SMILES
COC1=CC(=CC2=C1OCO2)C(=O)OC1C2[C@]3(C)C(C[C@H]4OC(=O)C[C@@](O)(C(C)=C1OC)[C@@]24C)C(C)CC(O)C3=O
InChIKey
InChIKey=YRGKNTFWWADMBW-ZYOVXROMSA-N
Formula
C30H36O11
Mass
572.607
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 Gallic acid and derivatives M-methoxybenzoic acids and derivatives Naphthalenes Benzodioxoles Anisoles Delta valerolactones Alkyl aryl ethers Pyrans Oxanes Dicarboxylic acids and derivatives Tertiary alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpenoid - Hydrolyzable tannin - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Naphthalene - Benzodioxole - Anisole - Delta_valerolactone - Delta valerolactone - Alkyl aryl ether - Benzenoid - Pyran - Oxane - Dicarboxylic acid or derivatives - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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