Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:24 UTC
Update Date2025-03-25 00:50:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183934
Frequency0.5
Structure
Chemical FormulaC17H16O5
Molecular Mass300.0998
SMILESO=C1CCC(Cc2ccc(O)c(O)c2)c2cc(O)c(O)cc21
InChI KeyOOHTUDNLJXDHEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • Substituents
  • tetralin
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • organic oxide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone