Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:39 UTC
Update Date2025-03-25 00:48:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168496
Frequency0.5
Structure
Chemical FormulaC12H15NO2
Molecular Mass205.1103
SMILESCC(C)C(O)(O)c1c[nH]c2ccccc12
InChI KeyGWOFOMBIRRKWLB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • aromatic alcohol
  • azacycle
  • indole
  • heteroaromatic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound