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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:12:53 UTC
Update Date2025-03-24 21:58:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01949727
Frequency0.6
Structure
Chemical FormulaC7H10OS
Molecular Mass142.0452
SMILESCc1cc(CO)c(C)s1
InChI KeyCVQUIXMHNWJFGY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass 2,3,5-trisubstituted thiophenes
Direct Parent 2,3,5-trisubstituted thiophenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • heteroaromatic compounds
  • hydrocarbon derivatives
    • Substituents
  • aromatic alcohol
  • alcohol
  • 2,3,5-trisubstituted thiophene
  • organic oxygen compound
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • hydrocarbon derivative
  • organooxygen compound