Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:35:12 UTC
Update Date2025-03-24 14:29:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00855463
Frequency1.7
Structure
Chemical FormulaC8H8O2
Molecular Mass136.0524
SMILESC=CC(=O)Cc1ccoc1
InChI KeyWCPRTBWWIVRSMV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furans
Direct Parent furans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • enones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • furan
  • carbonyl group
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • alpha,beta-unsaturated ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organooxygen compound
  • enone