DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:32 UTC
Update Date	2025-03-21 18:28:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00070614
Frequency	42.6
Structure
Chemical Formula	C₁₃H₁₇NO₆
Molecular Mass	283.1056
SMILES	O=C(O)C(O)CCNC(Cc1ccc(O)cc1)C(=O)O
InChI Key	PKIPAAISTFRGIE-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 alpha hydroxy acids and derivatives amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid gamma amino acid or derivatives alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid monosaccharide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alcohol secondary aliphatic amine tyrosine or derivatives hydroxy acid secondary amine aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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