Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:06 UTC
Update Date2025-03-25 00:48:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169525
Frequency0.5
Structure
Chemical FormulaC11H18N2OS
Molecular Mass226.114
SMILESCCCCN=C(S)N(C)Cc1ccco1
InChI KeyROSZPTBJNCMVDC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furans
Direct Parent furans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • thioureas
  • Substituents
  • furan
  • thiourea
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • organosulfur compound
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound