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Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:30:51 UTC
Update Date2025-03-21 18:41:46 UTC
HMDB IDHMDB0259498
Metabolite Identification
DeepMet IDDMID00136001
NameAllo-hydroxycitric acid lactone
Frequency18.4
Structure
Chemical FormulaC6H6O7
Molecular Mass190.0114
SMILESO=C1CC(O)(C(=O)O)C(C(=O)O)O1
InChI KeyPFHZIWAVXDSFTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • tetrahydrofuran
  • alpha-hydroxy acid
  • monosaccharide
  • tricarboxylic acid or derivatives
  • hydroxy acid
  • gamma butyrolactone
  • lactone
  • oxacycle
  • tertiary alcohol
  • saccharide
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound