Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:24 UTC
Update Date2025-03-25 00:58:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231925
Frequency0.5
Structure
Chemical FormulaC20H26O6
Molecular Mass362.1729
SMILESCC1(CCC(=O)O)CCc2cc3c(cc2O1)CCC(C)(CCC(=O)O)O3
InChI KeyLRIUNDGNEHEKGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent pyranochromenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • pyranochromene
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound