DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:10 UTC
Update Date	2025-03-21 17:58:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00017906
Frequency	233.4
Structure
Chemical Formula	C₁₅H₁₉NO₄
Molecular Mass	277.1314
SMILES	CCC(C)C(NC(=O)C=Cc1ccc(O)cc1)C(=O)O
InChI Key	QNVDTXQSBZEJNN-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	isoleucine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxycinnamic acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 1-hydroxy-2-unsubstituted benzenoid hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group hydroxycinnamic acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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