Hmdb loader

Showing information for DMID02179840

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:35 UTC
Update Date2025-03-25 00:50:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179840
Frequency0.5
Structure
Chemical FormulaC16H22O7
Molecular Mass326.1366
SMILESCOc1cc(CC(O)CCC(=O)OCCCC(=O)O)ccc1O
InChI KeyUHFBMNNHOCLBLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • alcohol
  • methoxybenzene
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound