Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:34 UTC
Update Date2025-03-25 00:54:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204835
Frequency0.5
Structure
Chemical FormulaC16H16O7S
Molecular Mass352.0617
SMILESO=S(O)Oc1cc(O)c2c(c1)CC(O)C(c1ccc(O)c(O)c1)C2
InChI KeyJMMCHZQATVVABK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass phenylnaphthalenes
Direct Parent phenylnaphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • tetralins
  • Substituents
  • alcohol
  • tetralin
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organic oxide
  • organic oxygen compound
  • phenylnaphthalene
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organooxygen compound