Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:05 UTC
Update Date2025-03-21 18:37:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115395
Frequency22.8
Structure
Chemical FormulaC10H9IO3
Molecular Mass303.9596
SMILESCOc1ccc(C=CC(=O)O)cc1I
InChI KeyGZGQKHDZHHTXFO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aryl iodides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • iodobenzenes
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organoiodides
  • phenoxy compounds
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • cinnamic acid or derivatives
  • organic oxide
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • organooxygen compound