Compound Identification
SMILES
COC1=C(O)C2=C(C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]23)C(CN2CCN(CC3=CC(Cl)=CC=C3)CC2)=C1O
InChIKey
InChIKey=BVIPIJBTIBJLJK-HETCPIBUSA-N
Formula
C26H31ClN2O9
Mass
550.99
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
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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
2-benzopyrans Anisoles Phenylmethylamines Benzylamines Alkyl aryl ethers Aralkylamines Phenols Chlorobenzenes N-alkylpiperazines Oxanes Aryl chlorides Monosaccharides Trialkylamines Secondary alcohols Amino acids and derivatives Carboxylic acid esters Lactones Azacyclic compounds Oxacyclic compounds Dialkyl ethers Polyols Organochlorides Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gallic acid or derivatives - Benzopyran - Isochromane - 2-benzopyran - Anisole - Phenol ether - Phenylmethylamine - Benzylamine - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aralkylamine - N-alkylpiperazine - Phenol - Monosaccharide - Aryl chloride - 1,4-diazinane - Aryl halide - Oxane - Piperazine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Dialkyl ether - Ether - Organic oxygen compound - Primary alcohol - Amine - Organic nitrogen compound - Alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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