Hmdb loader

Showing information for DMID02231421

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:11 UTC
Update Date2025-03-25 00:58:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231421
Frequency0.5
Structure
Chemical FormulaC22H28O8
Molecular Mass420.1784
SMILESCC1C(Oc2ccc3c(c2)OC(C)(CCC(=O)O)CC3=O)OC(C(=O)O)C(C)C1C
InChI KeyDEUNEHWMBRJILP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent chromones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • aryl alkyl ketones
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • ketone
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • oxane
  • pyran carboxylic acid or derivatives
  • oxacycle
  • organic oxygen compound
  • pyran
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone