Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:00 UTC
Update Date2025-03-25 00:45:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151119
Frequency0.5
Structure
Chemical FormulaC12H16O2
Molecular Mass192.115
SMILESCc1oc2c(c1C)CC(C)(C)CC2=O
InChI KeyJGPPDRZPCNCDKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzofurans
Subclass benzofurans
Direct Parent benzofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • furoic acid and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • furan
  • furoic acid or derivatives
  • aryl alkyl ketone
  • benzofuran
  • heteroaromatic compound
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone