Compound Identification
SMILES
O[C@H](COC(=O)C1=CC=CC=C1)[C@@H](O)CC1=CN=C(C=N1)[C@@H](O)[C@H](O)[C@H](O)COC(=O)C1=CC=CC=C1
InChIKey
InChIKey=XLRAFZTYUIYFGZ-ODTAKUCXSA-N
Formula
C26H28N2O9
Mass
512.515
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
Benzoyl derivatives Pyrazines Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Polyols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Pyrazine - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Alcohol - Aromatic alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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