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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:07 UTC
Update Date2025-03-21 18:39:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127317
Frequency20.1
Structure
Chemical FormulaC12H14O3S
Molecular Mass238.0664
SMILESCOc1cc(CC2CCC(=O)S2)ccc1O
InChI KeyQYHLORUTEGAWTA-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
  • carbonyl compounds
  • carbothioic s-lactones
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • thioesters
  • thiolactones
  • thiolanes
    • Substituents
  • thiolane
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • thiolactone
  • organoheterocyclic compound
  • carbothioic s-lactone
  • thiocarboxylic acid or derivatives
  • thiocarboxylic acid ester
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound