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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:32 UTC
Update Date2025-03-25 00:47:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163661
Frequency0.5
Structure
Chemical FormulaC18H30O5
Molecular Mass326.2093
SMILESCC12CCC(O)C(C)(C)C1CCC1=C2CC(O)C(C(O)CO)O1
InChI KeyJWLLOHHVNOGYJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classnaphthopyrans
Subclass naphthopyrans
Direct Parent naphthopyrans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • naphthalenes
  • oxacyclic compounds
  • primary alcohols
  • pyrans
  • secondary alcohols
  • Substituents
  • alcohol
  • cyclic alcohol
  • aliphatic heteropolycyclic compound
  • oxacycle
  • naphthopyran
  • naphthalene
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound