Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:11 UTC
Update Date2025-03-25 01:01:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249807
Frequency0.5
Structure
Chemical FormulaC17H24O3
Molecular Mass276.1725
SMILESCc1cc2c(cc1C(C)C)CC(C)(CCC(=O)O)OC2
InChI KeyJSNQUVIKVOOJMG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound