DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:16 UTC
Update Date	2025-03-25 00:58:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233893
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₂O₆
Molecular Mass	310.1165
SMILES	NC(CC(=O)NC(CCC(=O)O)C(=O)O)c1cccc(O)c1
InChI Key	PDSBGRUIYVTEEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides glutamic acid and derivatives hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid glutamic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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