Compound Identification
SMILES
O=C(OC[C@H]1O[C@@H](OC(=O)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C=C2)[C@H](OC(=O)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C=C2)[C@@H](OC(=O)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C=C2)[C@@H]1OC(=O)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=PNWWGBYKQCFLBN-XGAIUSHTSA-N
Formula
C111H92O21
Mass
1761.936
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
Pentacarboxylic acids and derivatives Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydrolyzable tannin - Pentacarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Carboxylic acid ester - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Oxacycle - Acetal - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic 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