Hmdb loader

Showing information for DMID02201548

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:07 UTC
Update Date2025-03-25 00:53:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201548
Frequency0.5
Structure
Chemical FormulaC26H40O4
Molecular Mass416.2927
SMILESCc1cc(CC2CCC(C)C(C)C2C)cc(OC2OC(C(=O)O)C(C)C(C)C2C)c1
InChI KeyIYRMUMAZQIEPLY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • toluenes
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • oxane
  • toluene
  • organooxygen compound