Compound Identification
SMILES
CC(=O)O[C@@H]1C[C@@H](C(C)(C)C(O)=O)[C@](C)(CC#N)[C@H]2[C@@H](C[C@](C)(C=C)C(=O)[C@]12O)OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=MPPSSZWVJZPPHO-LGWYJBSXSA-N
Formula
C29H35NO8
Mass
525.598
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
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
Tricarboxylic acids and derivatives Benzoyl derivatives Tertiary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Nitriles Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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