Compound Identification
SMILES
CC(C)(C)NC[C@H](COC1=NSN=C1N1CCOCC1)OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=XIGYAIXCEDPSBF-SGNDLWITSA-N
Formula
C31H36N4O10S
Mass
656.71
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
- 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 Dialkylarylamines Alkyl aryl ethers Fatty acid esters Dicarboxylic acids and derivatives Morpholines Imidolactams Monosaccharides Thiadiazoles Heteroaromatic compounds Amino acids Carboxylic acid esters Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Dialkylarylamine - Alkyl aryl ether - Fatty acid ester - Dicarboxylic acid or derivatives - Monosaccharide - Morpholine - Oxazinane - Imidolactam - Fatty acyl - Azole - Thiadiazole - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen 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