DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:01 UTC
Update Date	2025-03-25 00:50:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178583
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₂N₂O₃
Molecular Mass	278.163
SMILES	Cc1cccc(C)c1NC(=O)C(C)NCCCC(=O)O
InChI Key	HAIBVGSLUFISMR-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids amino acids anilides carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides m-xylenes
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid gamma amino acid or derivatives n-arylamide alpha-amino acid or derivatives xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine alpha-amino acid amide m-xylene secondary amine carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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