DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:15 UTC
Update Date	2025-03-21 18:02:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039135
Frequency	89.1
Structure
Chemical Formula	C₂₁H₂₃N₃O₅
Molecular Mass	397.1638
SMILES	COc1cc(CC(NC(=O)C(N)Cc2c[nH]c3ccccc23)C(=O)O)ccc1O
InChI Key	WJGLVYCOQVHNGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha amino acid amides alpha amino acids anisoles azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives indoles methoxybenzenes methoxylated amphetamines methoxyphenols monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids pyrroles secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid indole fatty amide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alpha-amino acid or derivatives alkyl aryl ether organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid methoxylated amphetamine heteroaromatic compound indole or derivatives carboxamide group methoxybenzene alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound anisole pyrrole phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

Showing information for DMID00039135