Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:30 UTC
Update Date2025-03-25 00:54:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209322
Frequency0.5
Structure
Chemical FormulaC17H18O4
Molecular Mass286.1205
SMILESCC1(C)CCCc2occ(-c3ccc(O)c(O)c3)c(=O)c21
InChI KeyMTPPNDLIXZXSID-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent pyranones and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • monocyclic benzene moiety
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyranone
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound