Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:36 UTC
Update Date2025-03-25 00:59:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236928
Frequency0.5
Structure
Chemical FormulaC22H28O5
Molecular Mass372.1937
SMILESO=C(CCCCCCCc1cc(O)cc(O)c1)CCc1cc(O)cc(O)c1
InChI KeyVGJMPELAVSLDOK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound