DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:22 UTC
Update Date	2025-03-25 00:49:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177086
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₂O₅
Molecular Mass	280.1059
SMILES	O=C(O)C1CCCN1CCc1ccc(O)c([N+](=O)[O-])c1
InChI Key	OBVLGZFUXDZFPX-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 alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines nitroaromatic compounds nitrobenzenes nitrophenols organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds phenethylamines propargyl-type 1,3-dipolar organic compounds pyrrolidine carboxylic acids trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid allyl-type 1,3-dipolar organic compound 1-hydroxy-2-unsubstituted benzenoid phenethylamine organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound organic oxoazanium pyrrolidine nitrophenol tertiary amine organoheterocyclic compound nitrobenzene nitroaromatic compound proline or derivatives azacycle n-alkylpyrrolidine tertiary aliphatic amine organic 1,3-dipolar compound monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound organic hyponitrite

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