DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:47 UTC
Update Date	2025-03-25 00:56:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221676
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₀N₂O₆
Molecular Mass	348.1321
SMILES	O=C(O)CCC(NC(=O)c1ccc(N2CC3CC(C2)O3)cc1)C(=O)O
InChI Key	LWYIXAQYLWCITC-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aminobenzamides aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkyl ethers dialkylarylamines dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds oxetanes phenylmorpholines phenylpiperidines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group ether carboxylic acid amino acid benzoyl dialkyl ether benzamide organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine piperidine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives phenylmorpholine azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives glutamic acid or derivatives carboxamide group aminobenzamide oxazinane oxacycle secondary carboxylic acid amide morpholine organic oxygen compound phenylpiperidine oxetane dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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