Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:14 UTC
Update Date2025-03-25 01:00:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245339
Frequency0.5
Structure
Chemical FormulaC20H30O2
Molecular Mass302.2246
SMILESCCCCCCCCCc1cccc(CC2CCC(=O)O2)c1
InChI KeyDWTBUAFHRLCLTC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound