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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:04 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153640
Frequency0.5
Structure
Chemical FormulaC10H12N2O5
Molecular Mass240.0746
SMILESCOc1ccc(CC(C)[N+](=O)[O-])cc1[N+](=O)[O-]
InChI KeyUWDHGRSOIUOCPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent methoxylated amphetamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • nitroaromatic compounds
  • nitrophenyl ethers
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylpropanes
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • phenol ether
  • ether
  • allyl-type 1,3-dipolar organic compound
  • alkyl aryl ether
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • phenylpropane
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrobenzene
  • nitroaromatic compound
  • methoxylated amphetamine
  • organic 1,3-dipolar compound
  • methoxybenzene
  • aromatic homomonocyclic compound
  • nitrophenyl ether
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • organic hyponitrite