Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:59 UTC
Update Date2025-03-25 00:57:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222121
Frequency0.5
Structure
Chemical FormulaC10H12O4
Molecular Mass196.0736
SMILESOc1ccc2cc1OCC(O)C(O)C2
InChI KeyFBEPYVBBTCFXRL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • 1,2-diol