Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:34:55 UTC
Update Date2025-03-24 21:14:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01717945
Frequency0.7
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1COC(O)CC1=O
InChI KeyIAYIPCWKRCMMQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organooxygen compound