Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:31 UTC
Update Date2025-03-21 18:41:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00132989
Frequency19.0
Structure
Chemical FormulaC19H24O5
Molecular Mass332.1624
SMILESCC1C(=O)OC(Oc2ccc(CC3CCC(=O)O3)cc2)C(C)C1C
InChI KeyLATOAFDHRZSVNL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • tetrahydrofurans
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • delta valerolactone
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • organooxygen compound