Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:32 UTC
Update Date2025-03-25 00:54:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207019
Frequency0.5
Structure
Chemical FormulaC17H18O7
Molecular Mass334.1053
SMILESO=C(O)C1C(O)C(O)C(Oc2ccc3ccccc3c2)C(O)C1O
InChI KeySUUFCZPSNWOGBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol ethers
  • Substituents
  • alcohol
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • cyclohexanol
  • cyclitol or derivatives
  • aromatic homopolycyclic compound
  • hydroxy acid
  • cyclic alcohol
  • alkyl aryl ether
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound