DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:31 UTC
Update Date	2025-03-25 00:53:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202421
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀NO₄+
Molecular Mass	266.1387
SMILES	C[N+](C)(C)C(Cc1ccccc1)C(=O)OCC(=O)O
InChI Key	NZZDGESWQNNCOC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	depsipeptides
Direct Parent	depsipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid esters alpha amino acids amines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives organic cations organic oxides organic salts organopnictogen compounds phenylalanine and derivatives tetraalkylammonium salts
Substituents	fatty acyl depsipeptide monocyclic benzene moiety carbonyl group carboxylic acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt amphetamine or derivatives tetraalkylammonium salt alpha-amino acid ester quaternary ammonium salt aromatic homomonocyclic compound fatty acid ester phenylalanine or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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