Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:29 UTC
Update Date2025-03-25 00:48:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165873
Frequency0.5
Structure
Chemical FormulaC13H14O4
Molecular Mass234.0892
SMILESCC1C2C(O)c3cc4c(cc3C(O)C12)OCO4
InChI KeyBMFCCHOPVHNUIR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • benzodioxoles
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • tetralin
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • benzodioxole