Compound Identification
SMILES
COC1=CC(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)NC2=CC=C(C=C2)C(=O)\C=C\C2=CC=CO2)=C(OC)C=C1
InChIKey
InChIKey=WMDBNTJAFXPNGZ-FRVOLBGHSA-N
Formula
C31H26N2O6
Mass
522.557
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
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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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
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Cinnamic acid amides Dimethoxybenzenes Anilides Phenoxy compounds Anisoles Aryl ketones Benzoyl derivatives N-arylamides Alkyl aryl ethers Acryloyl compounds Enones Furans Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Alpha-amino acid or derivatives - Dimethoxybenzene - P-dimethoxybenzene - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Aryl ketone - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Acryloyl-group - Furan - Enone - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available