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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:41:34 UTC
Update Date2025-03-21 17:59:06 UTC
HMDB IDHMDB0032391
Metabolite Identification
DeepMet IDDMID00018796
Name3-Methyl-3-butenyl acetate
Frequency219.4
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESC=C(C)CCOC(C)=O
InChI KeyOCUAPVNNQFAQSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound