DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:49 UTC
Update Date	2025-03-25 00:54:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207668
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₄N₂O₆
Molecular Mass	364.1634
SMILES	O=C(CCN1CCC(C(=O)O)CC1)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	XSLQTCCMMXMMIC-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids piperidinecarboxylic acids piperidines secondary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound piperidinecarboxylic acid piperidine tertiary amine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives azacycle n-acyl-alpha-amino acid tertiary aliphatic amine carboxamide group beta amino acid or derivatives secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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