Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:28 UTC
Update Date2025-03-25 01:00:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245885
Frequency0.5
Structure
Chemical FormulaC18H22O5
Molecular Mass318.1467
SMILESCC1C(C)C(C(O)O)OC(Oc2cccc3ccccc23)C1O
InChI KeyWMBWQZBNGBTPHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • carbonyl hydrates
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • carbonyl hydrate
  • oxacycle
  • naphthalene
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound