Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:50 UTC
Update Date2025-03-25 00:53:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203136
Frequency0.5
Structure
Chemical FormulaC21H18O3
Molecular Mass318.1256
SMILESO=C1CC(c2ccc(O)cc2)OC(c2ccc3ccccc3c2)C1
InChI KeyDSMGQKYHRAXXMN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • phenol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound