Compound Identification
SMILES
COC(=O)C1=CC(OCC2=CC=C(C=C2)C2=NN=C(O2)C2=CC=C(C=C2)C(C)(C)C)=C(OCC2=CC=C(C=C2)C2=NN=C(O2)C2=CC=C(C=C2)C(C)(C)C)C(OCC2=CC=C(C=C2)C2=NN=C(O2)C2=CC=C(C=C2)C(C)(C)C)=C1
InChIKey
InChIKey=BUJCUENOEUJRLF-UHFFFAOYSA-N
Formula
C65H62N6O8
Mass
1055.245
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
Benzoic acid esters Phenylpropanes Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Methyl esters Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gallic acid or derivatives - Benzoate ester - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Methyl ester - Oxadiazole - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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