Compound Identification
SMILES
[Br-].CC[NH+]1CCC2C(CCCC2OC(=O)C2=CC(OC)=C(OC)C(OC)=C2)C1
InChIKey
InChIKey=TWYKENCDQWRERH-UHFFFAOYSA-N
Formula
C21H32BrNO5
Mass
458.393
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
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
M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives Benzoic acid esters Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Piperidines Carboxylic acid esters Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic bromide salts Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Piperidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic bromide salt - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Aromatic heteropolycyclic 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