Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:13 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154000
Frequency0.5
Structure
Chemical FormulaC11H14O2
Molecular Mass178.0994
SMILESCOc1cccc(CC2COC2)c1
InChI KeyVDPYLHZPBQKAEG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • oxacyclic compounds
  • oxetanes
  • phenoxy compounds
  • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • methoxybenzene
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • anisole
  • oxetane
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound