DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:06 UTC
Update Date	2025-03-25 00:49:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171828
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇NO₃
Molecular Mass	223.1208
SMILES	CN(C)CC(CC(=O)O)c1ccccc1O
InChI Key	MQBXJVBMANUCHT-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-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino acids amino fatty acids benzene and substituted derivatives carbonyl compounds carboxylic acids fatty acyls hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds trialkylamines
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound hydroxy fatty acid tertiary amine tertiary aliphatic amine 1-hydroxy-4-unsubstituted benzenoid amino fatty acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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