Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:25 UTC
Update Date2025-03-25 00:50:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181748
Frequency0.5
Structure
Chemical FormulaC14H20O3
Molecular Mass236.1412
SMILESOCC(Cc1cccc(O)c1)C1CCCCO1
InChI KeyBCEIACYOTOEINX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound