Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:03 UTC
Update Date2025-03-25 00:58:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231110
Frequency0.5
Structure
Chemical FormulaC10H12O3
Molecular Mass180.0786
SMILESCCOC(=O)C=Cc1ccc(C)o1
InChI KeyWEHPOIVUNXIWGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • enoate ester
  • furan
  • carbonyl group
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxylic acid derivative
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound