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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:49 UTC
Update Date2025-03-25 00:56:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219445
Frequency0.5
Structure
Chemical FormulaC12H13NO3S
Molecular Mass251.0616
SMILESCOc1cc(C=C2SCCNC2=O)ccc1O
InChI KeyAOVYZNPPDPTCOZ-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
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • methoxybenzenes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
  • thioenol ethers
  • thiomorpholines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • 1,4-thiazinane
  • azacycle
  • carboxamide group
  • methoxybenzene
  • secondary carboxylic acid amide
  • thioenolether
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound