Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:20 UTC
Update Date2025-03-25 00:57:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222957
Frequency0.5
Structure
Chemical FormulaC19H19NO3
Molecular Mass309.1365
SMILESNC(CCCOc1cc2ccccc2c2ccccc12)C(=O)O
InChI KeyROXPIMLEFJPSKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrols
Direct Parent phenanthrols
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • naphthalenes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • phenanthrol
  • aromatic homopolycyclic compound
  • alpha-amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound