DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:37:45 UTC
Update Date	2025-03-21 17:57:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00010232
Frequency	463.4
Structure
Chemical Formula	C₁₀H₁₁NO₅
Molecular Mass	225.0637
SMILES	O=CNC(Cc1ccc(O)c(O)c1)C(=O)O
InChI Key	KIEQAQLZGVWIBK-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 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-formyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-formyl-alpha amino acid or derivatives amphetamine or derivatives tyrosine or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives n-formyl-alpha-amino acid organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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