Hmdb loader

Showing information for DMID00054085

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:35 UTC
Update Date2025-03-21 18:05:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054085
Frequency59.6
Structure
Chemical FormulaC18H26O11
Molecular Mass418.1475
SMILESO=C(CCC(O)Cc1cc(O)cc(O)c1)OCOC1C(O)C(O)C(O)C(O)C1O
InChI KeyBLYJHJVBICGQQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • cyclohexanols
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • cyclohexanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • carboxylic acid derivative
  • resorcinol
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound