Hmdb loader

Showing information for DMID00045877

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:03 UTC
Update Date2025-03-21 18:03:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00045877
Frequency73.2
Structure
Chemical FormulaC11H14O3
Molecular Mass194.0943
SMILESOc1ccc(CC2CCCO2)cc1O
InChI KeyNCFVBMSISZSMQV-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
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound