Hmdb loader

Showing information for DMID02183173

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:03 UTC
Update Date2025-03-25 00:50:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183173
Frequency0.5
Structure
Chemical FormulaC12H15NO4S
Molecular Mass269.0722
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC1
InChI KeyTWRKHAYXHJCJID-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • para dioxins
  • pyrrolidines
  • sulfonyls
    • Substituents
  • benzo-1,4-dioxane
  • organosulfonic acid or derivatives
  • ether
  • azacycle
  • alkyl aryl ether
  • organosulfur compound
  • organosulfonic acid amide
  • oxacycle
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound