Hmdb loader

Showing information for DMID00013188

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:00 UTC
Update Date2025-03-21 17:58:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00013188
Frequency340.7
Structure
Chemical FormulaC5H3NO5
Molecular Mass157.0011
SMILESO=C(O)c1ccc([N+](=O)[O-])o1
InChI KeyIODMEDPPCXSFLD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass nitrofurans
Direct Parent nitrofurans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carboxylic acids
  • furoic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • allyl-type 1,3-dipolar organic compound
  • carboxylic acid derivative
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • 2-nitrofuran
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitroaromatic compound
  • furoic acid or derivatives
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • furoic acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite