Compound Identification
SMILES
CC(=O)OC\C=C\C1CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)C2=CO1
InChIKey
InChIKey=TYURHYMMTQGDOP-LLSAIIIMSA-N
Formula
C23H22O9
Mass
442.42
Taxonomic Classification
Taxonomy Tree
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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 Benzopyrans Salicylic acid and derivatives Benzoyl derivatives Meta cresols Resorcinols 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones 1-hydroxy-2-unsubstituted benzenoids Toluenes Dicarboxylic acids and derivatives Vinylogous esters Vinylogous acids Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-hydroxybenzoic acid alkyl ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzopyran - Salicylic acid or derivatives - Benzoyl - M-cresol - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexenone - Toluene - Dicarboxylic acid or derivatives - Vinylogous acid - Vinylogous ester - Ketone - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen 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