Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:12 UTC
Update Date2025-03-21 18:05:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00060306
Frequency51.9
Structure
Chemical FormulaC9H10O3
Molecular Mass166.063
SMILESOc1cc2c(cc1O)COCC2
InChI KeyPZVOTYCGSRTAIB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound