Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(C[N+]3(CC4=CC(OC)=C(OC)C(OC)=C24)CC2=C(C(OC)=C(OC)C(OC)=C2C2=C(OC)C(OC)=C(OC)C(=C2C3)C2=CC(F)=C(F)C(F)=C2)C2=CC(F)=C(F)C(F)=C2)=C1
InChIKey
InChIKey=OIDLFVNNHSWLLA-UHFFFAOYSA-N
Formula
C52H50F6NO12
Mass
994.957
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
Benzazepines Anisoles Fluorobenzenes Azepines Aralkylamines Alkyl aryl ethers Aryl fluorides Tetraalkylammonium salts Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Benzazepine - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Azepine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tetraalkylammonium salt - Quaternary ammonium salt - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic cation - 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) 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