Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:30 UTC
Update Date2025-03-25 00:50:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181947
Frequency0.5
Structure
Chemical FormulaC18H16O4
Molecular Mass296.1049
SMILESO=C(O)C(O)CCOc1cccc2ccc3ccccc3c12
InChI KeyCEGVCKRUAGOLLE-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
  • alkyl aryl ethers
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • naphthalenes
  • organic oxides
  • phenol ethers
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • phenanthrene
  • carbonyl group
  • ether
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • aromatic homopolycyclic compound
  • hydroxy acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound