Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:41 UTC
Update Date2025-03-25 00:59:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234892
Frequency0.5
Structure
Chemical FormulaC10H13NO
Molecular Mass163.0997
SMILESCNC1(c2ccccc2)COC1
InChI KeyDVVNQFGEMCQTQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • secondary amine
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • oxetane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound
  • amine