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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:16:38 UTC
Update Date2025-03-24 16:45:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00954356
Frequency1.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1CCCC(=O)OO1
InChI KeySGMOSYUCCCYJOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,2-dioxepanes
Direct Parent 1,2-dioxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • carboxylic acid derivative
  • 1,2-dioxepane
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound