Compound Identification
SMILES
COC1=C2OCOC2=C(C(=C1)C(O)=O)C1=C2OCOC2=C(OC)C=C1C(O)=O.COC1=C(O)C=CC(=C1)[C@H]1OC2=C(O[C@@H]1CO)C=CC(=C2)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
InChIKey
InChIKey=FTXKFEPPDLZDCA-WQBQLIDWSA-N
Formula
C43H36O20
Mass
872.741
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
Flavonolignans 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavanonols Phenylbenzo-1,4-dioxanes Gallic acid and derivatives M-methoxybenzoic acids and derivatives Chromones Benzo-1,4-dioxanes Methoxyphenols Benzodioxoles Anisoles Phenoxy compounds Aryl alkyl ketones Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Para dioxins Dicarboxylic acids and derivatives Vinylogous acids Secondary alcohols Oxacyclic compounds Polyols Acetals Carboxylic acids Organic oxides Aldehydes Primary alcohols Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Hydrolyzable tannin - Flavonolignan - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavanone - Flavanonol - Hydroxyflavonoid - Flavan - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - Gallic acid or derivatives - Chromone - M-methoxybenzoic acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Chromane - Benzopyran - Methoxyphenol - 1-benzopyran - Benzodioxole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Para-dioxin - Vinylogous acid - Ketone - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Hydrocarbon derivative - Organic oxide - Aldehyde - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen 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