Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:33 UTC
Update Date2025-03-21 18:38:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121284
Frequency21.4
Structure
Chemical FormulaC12H18O3
Molecular Mass210.1256
SMILESCOc1cc(C(C)(C)C)cc(OC)c1O
InChI KeyRJHWHMPKVCXJJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • phenoxy compounds
  • phenylpropanes
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • phenylpropane
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound