Compound Identification
SMILES
[K].OS(=O)(=O)O[C@H]1CC2=C(OS(O)(=O)=O)C=C(OS(O)(=O)=O)C=C2O[C@@H]1C1=CC(OS(O)(=O)=O)=C(OS(O)(=O)=O)C=C1
InChIKey
InChIKey=DNPXHTCODPVOBJ-LDXVYITESA-N
Formula
C15H14KO21S5
Mass
729.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
- Level 6 Catechins
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Level 5
Flavan-3-ols
-
Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Flavan-3-ols
Direct Parent
Catechins
Alternative Parents
Phenylsulfates 1-benzopyrans Phenoxy compounds Alkyl aryl ethers Sulfuric acid monoesters Alkyl sulfates Oxacyclic compounds Organic alkali metal salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Phenylsulfate - Arylsulfate - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Oxacycle - Organic alkali metal salt - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.
External Descriptors
Not available