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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:43 UTC
Update Date2025-03-25 00:46:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155177
Frequency0.5
Structure
Chemical FormulaC17H24O4
Molecular Mass292.1675
SMILESCc1cc(C)c2c(c1)OC(C)(CCCC(C)C(=O)O)OC2
InChI KeyFNNNMIATSDWGOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,3-dioxanes
Direct Parent benzo-1,3-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • ketals
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • benzo-1,3-dioxane
  • branched fatty acid
  • medium-chain hydroxy acid
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • ketal
  • hydrocarbon derivative
  • medium-chain fatty acid
  • benzenoid
  • organooxygen compound