DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:29 UTC
Update Date	2025-03-25 00:56:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218641
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃NO₄
Molecular Mass	211.0845
SMILES	Cc1ccc(C(O)CC(=O)O)c(N)c1O
InChI Key	DPJQARZPRWIRKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	phenylpropanoic acids
Subclass	phenylpropanoic acids
Direct Parent	phenylpropanoic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids amino acids aromatic alcohols beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds ortho cresols primary amines secondary alcohols toluenes
Substituents	aromatic alcohol monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid carboxylic acid derivative beta-hydroxy acid organic oxide o-cresol organonitrogen compound organopnictogen compound alcohol hydroxy acid 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound secondary alcohol phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound toluene amine organooxygen compound

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