Hmdb loader

Showing information for DMID02207945

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:56 UTC
Update Date2025-03-25 00:54:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207945
Frequency0.5
Structure
Chemical FormulaC12H16O2
Molecular Mass192.115
SMILESCC(C)CCC(=O)Oc1ccccc1
InChI KeyBEQGZFSRANVDFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound