Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:04 UTC
Update Date2025-03-25 01:01:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249563
Frequency0.5
Structure
Chemical FormulaC20H28O3
Molecular Mass316.2038
SMILESCc1c2c(cc3c1C(C)CCC3C)OC(C)(CCC(=O)O)CC2
InChI KeyXYHFLFXNLFHQRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classnaphthopyrans
Subclass naphthopyrans
Direct Parent naphthopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • naphthalenes
  • organic oxides
  • oxacyclic compounds
  • pyrans
  • tetralins
  • Substituents
  • tetralin
  • carbonyl group
  • ether
  • benzopyran
  • carboxylic acid
  • 1-benzopyran
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • naphthopyran
  • organic oxide
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound