DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:38 UTC
Update Date	2025-03-25 00:49:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173060
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃NO₆
Molecular Mass	325.1525
SMILES	CCC(C)C(O)C(=O)NC(Cc1ccc(O)c(OC)c1)C(=O)O
InChI Key	VHDVBPZQLSUULE-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha amino acids anisoles carbonyl compounds carboxylic acids hydrocarbon derivatives methoxybenzenes methoxylated amphetamines methoxyphenols monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid fatty amide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol tyrosine or derivatives n-acyl-alpha-amino acid methoxylated amphetamine carboxamide group methoxybenzene n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound anisole secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

Showing information for DMID02173060