Compound Identification
SMILES
Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\C=C\C(O)=O)=CC2=CC(=O)[C@]1(C)O
InChIKey
InChIKey=ZDFHVFVPRFCIRZ-SMGAZDJTSA-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
Benzoic acid esters
- Level 6 p-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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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
Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parent
p-Hydroxybenzoic acid alkyl esters
Alternative Parents
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Benzoyl derivatives Meta cresols Resorcinols 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones 1-hydroxy-2-unsubstituted benzenoids Toluenes Acyloins Dicarboxylic acids and derivatives Vinylogous acids Tertiary alcohols Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-hydroxybenzoic acid alkyl ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Salicylic acid or derivatives - Benzoyl - M-cresol - Resorcinol - Cyclohexenone - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Acyloin - Dicarboxylic acid or derivatives - Vinylogous acid - Tertiary alcohol - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
External Descriptors
Not available