Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:34 UTC
Update Date2025-03-25 00:57:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227859
Frequency0.5
Structure
Chemical FormulaC13H18O
Molecular Mass190.1358
SMILESC=C(c1ccc(OC)cc1)C(C)(C)C
InChI KeyCXJOZMQAIWJYLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
  • Substituents
  • phenol ether
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound