Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:19 UTC
Update Date2025-03-21 18:33:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096360
Frequency28.7
Structure
Chemical FormulaC13H14O2
Molecular Mass202.0994
SMILESCC(C)(c1ccc(O)cc1)c1ccco1
InChI KeyYMWSWXNRNWOGKM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • furan
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • phenylpropane
  • oxacycle
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound