Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:54 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155602
Frequency0.5
Structure
Chemical FormulaC11H14O4
Molecular Mass210.0892
SMILESCc1ccc(OCCC(O)C(=O)O)cc1
InChI KeyRXTYQONXXLRSBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • phenoxy compounds
  • secondary alcohols
  • toluenes
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • hydroxy acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • toluene
  • organooxygen compound