DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:51 UTC
Update Date	2025-03-25 00:53:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200958
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₀N₂O₈
Molecular Mass	368.122
SMILES	COc1cc(CC(NC(C)=O)C(=O)NC(CC(=O)O)C(=O)O)ccc1O
InChI Key	JDOAZJQZLDCMNM-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetamides alkyl aryl ethers alpha amino acid amides alpha amino acids anisoles aspartic acid and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives methoxybenzenes methoxylated amphetamines methoxyphenols n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alpha-amino acid or derivatives alkyl aryl ether organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives acetamide n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid methoxylated amphetamine carboxamide group methoxybenzene n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound anisole aspartic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

Showing information for DMID02200958