Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:04 UTC
Update Date2025-03-21 18:40:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129582
Frequency19.6
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESO=C(O)OCCc1ccccc1
InChI KeyRYLBXVJICCIUQR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonic acid monoesters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • carbonyl group
  • organic oxide
  • carbonic acid derivative
  • carbonic acid monoester
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound