Hmdb loader

Showing information for DMID02208551

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:11 UTC
Update Date2025-03-25 00:54:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208551
Frequency0.5
Structure
Chemical FormulaC9H10NO3+
Molecular Mass180.0655
SMILESCC(C(=O)c1ccccc1)[N+](=O)O
InChI KeyAQZRPSFQCGLFAQ-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
  • aryl alkyl ketones
  • benzoyl derivatives
  • c-nitro compounds
  • hydrocarbon derivatives
  • 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
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • phenylpropane
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone
  • organic hyponitrite