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Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:39:17 UTC
Update Date2025-03-21 17:58:21 UTC
HMDB IDHMDB0003070
Metabolite Identification
DeepMet IDDMID00013807
NameShikimic acid
Frequency322.0
Structure
Chemical FormulaC7H10O5
Molecular Mass174.0528
SMILESO=C(O)C1=CC(O)C(O)C(O)C1
InChI KeyJXOHGGNKMLTUBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent shikimic acids and derivatves
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • shikimic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative