Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:33 UTC
Update Date2025-03-21 18:40:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130779
Frequency19.4
Structure
Chemical FormulaC8H10O2
Molecular Mass138.0681
SMILESCC(=O)c1occ(C)c1C
InChI KeyLNDSZDPEFSRLDC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furoic acid and derivatives
Direct Parent furoic acid and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • furoic acid or derivatives
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone