Hmdb loader

Showing information for DMID02183140

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:02 UTC
Update Date2025-03-25 00:50:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183140
Frequency0.5
Structure
Chemical FormulaC23H22O6S
Molecular Mass426.1137
SMILESO=S(=O)(O)Oc1cccc(CC2c3ccc(O)cc3OCC2Cc2ccccc2)c1
InChI KeyJYUORAXFTPNDIY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classhomoisoflavonoids
Subclass homoisoflavans
Direct Parent homoisoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • phenylsulfate
  • organic oxide
  • aromatic heteropolycyclic compound
  • homoisoflavan
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound