Compound Identification
SMILES
OC(=O)C([O-])=O.CC[NH+](CCCC(C)Cl)CCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=URILAFSRXOZGRO-UHFFFAOYSA-N
Formula
C21H32ClNO9
Mass
477.94
Taxonomic Classification
Taxonomy Tree
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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
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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
P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Dicarboxylic acids and derivatives Trialkylamines Amino acids and derivatives Carboxylic acid esters Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Alkyl chlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Dicarboxylic acid or derivatives - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Alkyl chloride - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Organic salt - Amine - Hydrocarbon derivative - 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