Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:31 UTC
Update Date2025-03-25 00:49:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172767
Frequency0.5
Structure
Chemical FormulaC17H26O3
Molecular Mass278.1882
SMILESCCCC(CC)COC(=O)CCc1ccc(OC)cc1
InChI KeyZZGVSLOCQPJDNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound