Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:28 UTC
Update Date2025-03-25 00:55:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214014
Frequency0.5
Structure
Chemical FormulaC13H20O
Molecular Mass192.1514
SMILESCCCCCOc1c(C)cccc1C
InChI KeyMDABPUHNSWRKTJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • phenoxy compounds
  • m-xylenes
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • m-xylene
  • alkyl aryl ether
  • aromatic homomonocyclic compound
  • xylene
  • organic oxygen compound
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound