Hmdb loader

Showing information for DMID02154478

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:25 UTC
Update Date2025-03-25 00:46:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154478
Frequency0.5
Structure
Chemical FormulaC14H24NO6S+
Molecular Mass334.1319
SMILESCOc1cc(CC(C)[N+](C)(C)C)cc(OC)c1OS(=O)(=O)O
InChI KeyFLSZDTGYAGRNAJ-UHFFFAOYSA-O
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
  • amines
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • phenoxy compounds
  • phenylpropanes
  • phenylsulfates
  • sulfuric acid monoesters
  • tetraalkylammonium salts
    • Substituents
  • phenol ether
  • sulfuric acid monoester
  • ether
  • alkyl aryl ether
  • phenylpropane
  • dimethoxybenzene
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • organic cation
  • organic salt
  • organic sulfuric acid or derivatives
  • tetraalkylammonium salt
  • methoxylated amphetamine
  • quaternary ammonium salt
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • amine
  • organooxygen compound