Hmdb loader

Showing information for DMID00112125

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:44 UTC
Update Date2025-03-21 18:36:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112125
Frequency23.7
Structure
Chemical FormulaC15H14O6S
Molecular Mass322.0511
SMILESO=S(O)Oc1cc(O)c2c(c1)OCC(c1ccc(O)cc1)C2
InChI KeyRYDAKKYLMKRAHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • chromane
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound