Hmdb loader

Showing information for DMID02237776

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:58 UTC
Update Date2025-03-25 00:59:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237776
Frequency0.5
Structure
Chemical FormulaC7H10O9S
Molecular Mass270.0046
SMILESO=C1CC(OS(=O)(=O)O)C(C(O)CO)OC1=O
InChI KeyMSIVTPIDXVQLDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl sulfates
  • carboxylic acid esters
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • delta valerolactone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • delta_valerolactone
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound