Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:54 UTC
Update Date2025-03-25 00:59:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235386
Frequency0.5
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESOc1ccccc1C1OCCO1
InChI KeyYRQDSVXQHYMZIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • monocyclic benzene moiety
  • meta-dioxolane
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • acetal
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound