Hmdb loader

Showing information for DMID02166776

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:52 UTC
Update Date2025-03-25 00:48:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166776
Frequency0.5
Structure
Chemical FormulaC11H13NO4
Molecular Mass223.0845
SMILESCC(C)(C)C(=O)c1ccc(O)c([N+](=O)[O-])c1
InChI KeyDGCOXFLHFBNRHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • nitrobenzenes
  • nitrophenols
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • phenylpropanes
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • allyl-type 1,3-dipolar organic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • phenylpropane
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrophenol
  • nitrobenzene
  • nitroaromatic compound
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone
  • organic hyponitrite