DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:15 UTC
Update Date	2025-03-25 00:47:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163025
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₃NO₅
Molecular Mass	333.1576
SMILES	O=C(CCCCC1CCC(=O)O1)NC(Cc1ccccc1)C(=O)O
InChI Key	CHCCVORCBLGTRV-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives gamma butyrolactones hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds phenylpropanoic acids secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide lactone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid tetrahydrofuran carboxamide group n-acyl-amine gamma butyrolactone oxacycle secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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