Compound Identification
SMILES
COC(=O)C12CCC(C1)(CC(COCC(O)CO)(COC(=O)C1=CC=CC=C1)C2)OC(=O)C(O)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1
InChIKey
InChIKey=OGEBSWDOPVQNOU-UHFFFAOYSA-N
Formula
C36H47NO12
Mass
685.767
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Benzoyl derivatives Glycerol ethers Fatty acid esters Monosaccharides Dicarboxylic acids and derivatives Methyl esters Carbamate esters Secondary alcohols 1,2-diols Dialkyl ethers Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Glycerolipid - Glycerol ether - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Monosaccharide - Methyl ester - Carbamic acid ester - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic 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