Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:47 UTC
Update Date2025-03-25 00:45:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150637
Frequency0.5
Structure
Chemical FormulaC7H8O3
Molecular Mass140.0473
SMILESCOCc1ccc(=O)oc1
InChI KeyRRWZNIFNUNEUNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent pyranones and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • ether
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • dialkyl ether
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • pyranone
  • hydrocarbon derivative
  • organooxygen compound