DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:16 UTC
Update Date	2025-03-25 01:00:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240727
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₂O₅
Molecular Mass	308.1372
SMILES	CC(=O)Nc1ccc(OCCN2CC(O)CC2C(=O)O)cc1
InChI Key	AWABPTXXNGGRJH-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	proline and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols acetamides acetanilides alkyl aryl ethers alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acetylarylamines n-alkylpyrrolidines organic oxides organopnictogen compounds phenol ethers phenoxy compounds pyrrolidine carboxylic acids secondary alcohols secondary carboxylic acid amides trialkylamines
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid n-acetylarylamine aromatic heteromonocyclic compound amino acid n-arylamide alkyl aryl ether organic oxide pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound acetamide proline or derivatives alcohol azacycle n-alkylpyrrolidine acetanilide 1,2-aminoalcohol tertiary aliphatic amine carboxamide group anilide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine organooxygen compound

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