Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:09 UTC
Update Date2025-03-21 18:31:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086471
Frequency33.0
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESCC1COc2cc(O)cc(O)c21
InChI KeyPCDPHABNMSQPIR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • coumaran
  • organooxygen compound