DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:34 UTC
Update Date	2025-03-25 00:51:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186638
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₄N₂O₃
Molecular Mass	210.1004
SMILES	Nc1ccc(C(N)CC(O)C(=O)O)cc1
InChI Key	PZOJTDOSANKPSX-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	alpha hydroxy acids and derivatives amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid gamma amino acid or derivatives alpha-hydroxy acid organic oxide organonitrogen compound organopnictogen compound alcohol hydroxy acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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