Compound Identification
SMILES
COC(=O)C=CC1=CC2=C(OCO2)C=C1C1=C(OC)C(OC)=C(OC)C=C1C(O)=O
InChIKey
InChIKey=GHBMKATUAQBRTJ-UHFFFAOYSA-N
Formula
C21H20O9
Mass
416.382
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
Coumaric acids and derivatives Cinnamic acid esters P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzodioxoles Benzoic acids Styrenes Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Enoate esters Oxacyclic compounds Acetals Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gallic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzodioxole - Benzoic acid - Methoxybenzene - Phenoxy compound - Styrene - Phenol ether - Anisole - Benzoyl - Alkyl aryl ether - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Acetal - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen 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