DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:52 UTC
Update Date	2025-03-25 00:48:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168995
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉NO₅
Molecular Mass	293.1263
SMILES	CC(C)CC(=NC(Cc1ccccc1O)C(=O)O)C(=O)O
InChI Key	TXCXYIKQAGNZDR-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 alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary ketimines
Substituents	ketimine monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound secondary ketimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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