DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:48 UTC
Update Date	2025-03-25 00:49:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173420
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁NO₅
Molecular Mass	295.142
SMILES	CCC(O)CCC(O)=NC(Cc1cccc(O)c1)C(=O)O
InChI Key	MBJSSAUXPNNKQN-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 carboximidic acids carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary alcohols
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alcohol organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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