Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:55 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155638
Frequency0.5
Structure
Chemical FormulaC15H20O2
Molecular Mass232.1463
SMILESCc1cccc(C)c1OC(=O)C1CCCCC1
InChI KeyJZAZRLNOFLGWHP-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
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • m-xylenes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • m-xylene
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound