Hmdb loader

Showing information for DMID02177058

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:22 UTC
Update Date2025-03-25 00:49:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177058
Frequency0.5
Structure
Chemical FormulaC8H7NO4
Molecular Mass181.0375
SMILESO=[N+]([O-])c1cccc2c1OCCO2
InChI KeyXDHJIJSXCHOQQI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • para dioxins
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ether
  • allyl-type 1,3-dipolar organic compound
  • alkyl aryl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitroaromatic compound
  • benzo-1,4-dioxane
  • organic 1,3-dipolar compound
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite