Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:21 UTC
Update Date2025-03-21 18:34:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098903
Frequency27.8
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESOc1cc(O)c2c(c1)OCCC2
InChI KeyVYUSVRQMDKOTPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
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-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound