Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:54 UTC
Update Date2025-03-25 00:50:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178340
Frequency0.5
Structure
Chemical FormulaC8H10O3
Molecular Mass154.063
SMILESCc1oc(C=O)c(C)c1CO
InChI KeyFCKYULXXLZUAKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-aldehydes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • furan
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • oxacycle
  • organic oxide
  • aryl-aldehyde
  • hydrocarbon derivative
  • organoheterocyclic compound