DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:27 UTC
Update Date	2025-03-25 00:46:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156825
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇NO₆
Molecular Mass	295.1056
SMILES	O=C(OCCN1CCCC1C(=O)O)c1ccc(O)c(O)c1
InChI Key	YOAINHVMXTYOPH-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids trialkylamines m-hydroxybenzoic acid esters p-hydroxybenzoic acid alkyl esters
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid p-hydroxybenzoic acid ester benzoyl 1-hydroxy-2-unsubstituted benzenoid benzoate ester organic oxide pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine m-hydroxybenzoic acid ester tertiary amine organoheterocyclic compound proline or derivatives azacycle n-alkylpyrrolidine tertiary aliphatic amine benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid p-hydroxybenzoic acid alkyl ester pyrrolidine carboxylic acid or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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