DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:28 UTC
Update Date	2025-03-25 00:47:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161206
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₄N₂O₉
Molecular Mass	342.0699
SMILES	NC(Cc1ccc(OC(CC(=O)O)C(=O)O)c([N+](=O)[O-])c1)C(=O)O
InChI Key	DRYAQDYMSKNPLW-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines nitroaromatic compounds nitrophenyl ethers organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenol ethers phenoxy compounds phenoxyacetic acid derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds tricarboxylic acids and derivatives
Substituents	phenol ether monocyclic benzene moiety phenoxyacetate carbonyl group ether carboxylic acid 3-phenylpropanoic-acid allyl-type 1,3-dipolar organic compound tricarboxylic acid or derivatives alkyl aryl ether organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium amphetamine or derivatives nitrobenzene nitroaromatic compound organic 1,3-dipolar compound aromatic homomonocyclic compound nitrophenyl ether phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound organic hyponitrite

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