Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:50 UTC
Update Date2025-03-25 00:51:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187265
Frequency0.5
Structure
Chemical FormulaC9H10O4
Molecular Mass182.0579
SMILESCC(=O)OC(=O)CCc1ccco1
InChI KeyAOMGMXWKLZAEDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass dicarboxylic acids and derivatives
Direct Parent dicarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid anhydrides
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • furan
  • carbonyl group
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • carboxylic acid anhydride
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound