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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:55 UTC
Update Date2025-03-25 00:53:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201124
Frequency0.5
Structure
Chemical FormulaC10H13NO4S
Molecular Mass243.0565
SMILESCOc1cc(C2CCS(=O)(=O)N2)ccc1O
InChI KeyWYYHZGXCTPHGAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • gamma sultams
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organic sulfonamides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • gamma-sultam
  • alkyl aryl ether
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • methoxybenzene
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organic sulfonic acid amide
  • organooxygen compound