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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:33:53 UTC
Update Date2025-03-21 17:56:25 UTC
HMDB IDHMDB0000543
Metabolite Identification
DeepMet IDDMID00001199
NameBenzenebutanoic acid
Frequency4843.9
Structure
Chemical FormulaC10H12O2
Molecular Mass164.0837
SMILESO=C(O)CCCc1ccccc1
InChI KeyOBKXEAXTFZPCHS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid
  • organic oxygen compound
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound