Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:14 UTC
Update Date2025-03-25 01:01:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249928
Frequency0.5
Structure
Chemical FormulaC17H14O2
Molecular Mass250.0994
SMILESCOc1ccc2ccc3cc(C(C)=O)ccc3c2c1
InChI KeyPBAMCWZXEPPFMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • acetophenones
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • hydrocarbon derivatives
  • naphthalenes
  • organic oxides
  • Substituents
  • phenol ether
  • phenanthrene
  • ether
  • aryl alkyl ketone
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • ketone
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • anisole
  • acetophenone
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone