Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:14 UTC
Update Date2025-03-25 01:01:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247654
Frequency0.5
Structure
Chemical FormulaC20H26O8
Molecular Mass394.1628
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)OC(CC(=O)O)C(=O)O)O2
InChI KeyGJGOXRROJIUSDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tricarboxylic acids and derivatives
  • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • tricarboxylic acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound