Compound Identification
SMILES
OC1=C(OC2=C(C=C(OCC3=CC=CC=C3)C(=O)C2=O)C(=O)OCC2=CC=CC=C2)C=C(C=C1OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=CNTOQVKSKHLNGO-UHFFFAOYSA-N
Formula
C42H32O10
Mass
696.708
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
p-Hydroxybenzoic acid alkyl esters Benzyloxycarbonyls Phenoxy compounds Phenol ethers O-benzoquinones Benzoyl derivatives Phenols Alkyl aryl ethers Vinylogous esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzyloxycarbonyl - Benzoate ester - Benzoyl - Quinone - Phenol ether - Phenoxy compound - O-benzoquinone - Phenol - Alkyl aryl ether - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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