DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:42 UTC
Update Date	2025-03-21 18:03:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00045067
Frequency	74.8
Structure
Chemical Formula	C₁₀H₁₀N₂O₆
Molecular Mass	254.0539
SMILES	O=CNC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O
InChI Key	HPCIVXXCNSHKNU-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-formyl-alpha amino acids nitroaromatic compounds nitrobenzenes nitrophenols organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid allyl-type 1,3-dipolar organic compound 1-hydroxy-2-unsubstituted benzenoid organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound n-formyl-alpha amino acid or derivatives organic oxoazanium nitrophenol amphetamine or derivatives nitrobenzene nitroaromatic compound tyrosine or derivatives organic 1,3-dipolar compound carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives n-formyl-alpha-amino acid organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound organic hyponitrite

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