Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C[C@](C)(O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=MHLBJQVZNLCHBZ-NPWFAMOPSA-N
Formula
C24H32O12
Mass
512.508
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
Iridoid O-glycosides M-methoxybenzoic acids and derivatives O-glycosyl compounds P-methoxybenzoic acids and derivatives Aromatic monoterpenoids Benzoic acid esters Bicyclic monoterpenoids Dimethoxybenzenes Iridoids and derivatives Anisoles Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Monosaccharides Oxanes Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Iridoid o-glycoside - Terpene glycoside - Glycosyl compound - Iridoid-skeleton - M-methoxybenzoic acid or derivatives - O-glycosyl compound - P-methoxybenzoic acid or derivatives - Aromatic monoterpenoid - Benzoate ester - Bicyclic monoterpenoid - Monoterpenoid - O-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Polyol - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - 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