DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:26 UTC
Update Date	2025-03-25 00:51:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188640
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₄N₂O₄+
Molecular Mass	250.0948
SMILES	CC([N+])C(=O)NC(Cc1cccc(O)c1)C(=O)O
InChI Key	CJVRFGGDIFUGQO-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alanine and derivatives alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic cations organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound alanine or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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