Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:31 UTC
Update Date2025-03-25 00:46:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156951
Frequency0.5
Structure
Chemical FormulaC14H14O4
Molecular Mass246.0892
SMILESO=C1C=CCC2C1COC2c1ccc(O)c(O)c1
InChI KeyFWAYNAOUIZOPFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • cyclohexenones
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • cyclohexenone
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound