Compound Identification
SMILES
CCOC1=CC(=CC(OCC)=C1OCC)C(=O)O[C@H](C(=O)NC1=CC(Cl)=C(OC)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=OHFNFRKIHLQXDI-VWLOTQADSA-N
Formula
C28H30ClNO7
Mass
528.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Hydroxybenzoic acid derivatives
- Level 6 Gallic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives
Direct Parent
Gallic acid and derivatives
Alternative Parents
Phenylacetamides Benzoic acid esters Benzyloxycarbonyls Anilides Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes N-arylamides Alkyl aryl ethers Chlorobenzenes Aryl chlorides Carboxylic acid esters Secondary carboxylic acid amides Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Gallic acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Benzoate ester - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - N-arylamide - Phenol ether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
External Descriptors
Not available