Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:35 UTC
Update Date2025-03-25 00:57:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225698
Frequency0.5
Structure
Chemical FormulaC19H27NO
Molecular Mass285.2093
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(NCc2ccco2)c1
InChI KeyXSYVRGXMBPWDRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenylalkylamines
  • secondary alkylarylamines
  • Substituents
  • furan
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • phenylpropane
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound
  • organooxygen compound