Compound Identification
SMILES
COCCN(CC(=O)N(CC1=CC=CO1)CC1=CC2=C(OCO2)C=C1)C(=O)C1=CC(OC)=CC(OC)=C1
InChIKey
InChIKey=XEERTSYHDNDPEK-UHFFFAOYSA-N
Formula
C27H30N2O8
Mass
510.543
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
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
Alpha amino acids and derivatives Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Tertiary carboxylic acid amides Furans Heteroaromatic compounds Dialkyl ethers Acetals Oxacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Alpha-amino acid or derivatives - Benzodioxole - Methoxybenzene - Phenoxy compound - Phenol ether - Benzoyl - Anisole - Alkyl aryl ether - Heteroaromatic compound - Tertiary carboxylic acid amide - Furan - Carboxamide group - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Dialkyl ether - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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