DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:39 UTC
Update Date	2025-03-25 00:51:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184518
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₂N₂O₄
Molecular Mass	330.158
SMILES	NC(Cc1ccccc1)C(O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	FNNKNQHSHXMXAY-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hemiaminals hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid 1-hydroxy-2-unsubstituted benzenoid hemiaminal organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alkanolamine secondary aliphatic amine tyrosine or derivatives secondary amine aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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