Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:03 UTC
Update Date2025-03-25 00:53:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199086
Frequency0.5
Structure
Chemical FormulaC16H14O3
Molecular Mass254.0943
SMILESO=C(O)CCC1Oc2ccccc2-c2ccccc21
InChI KeyIXJDXCHJPHWWPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent dibenzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-benzopyrans
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • dibenzopyran
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound