Compound Identification
SMILES
[Na].COC1=C(C(COS(O)(=O)=O)=CC(OCC2=CC=CC=C2)=C1OCC1=CC=CC=C1)C1=C(OC)C(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1COS(O)(=O)=O
InChIKey
InChIKey=XBHWFJPDMLAVKM-UHFFFAOYSA-N
Formula
C44H42NaO14S2
Mass
881.92
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
Biphenyls and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Sulfuric acid monoesters Alkyl sulfates Organic alkali metal salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hydrolyzable tannin - Biphenyl - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Organic alkali metal salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homomonocyclic 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