Compound Identification
SMILES
COC(=O)C1=CC=CC=C1OC(C)(C)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)C1=CN=CC=C1
InChIKey
InChIKey=BLQRRTMBZPZHCY-AUKLWXOLSA-N
Formula
C26H31NO7
Mass
469.534
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
- 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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives Medium-chain fatty acids Alkyl aryl ethers Heterocyclic fatty acids Amino fatty acids Unsaturated fatty acids Pyridines and derivatives 1,3-dioxanes Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters Acetals Carboxylic acids Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenol ether - Phenoxy compound - Benzoyl - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Heterocyclic fatty acid - Meta-dioxane - Pyridine - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available