Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:02 UTC
Update Date2025-03-25 00:54:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208187
Frequency0.5
Structure
Chemical FormulaC18H24O3
Molecular Mass288.1725
SMILESCC(C=O)=CCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChI KeyJKRWVUZYSXCHMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aldehydes
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • 1-benzopyran
  • aldehyde
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound