Hmdb loader

Showing information for DMID02179874

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:36 UTC
Update Date2025-03-25 00:50:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179874
Frequency0.5
Structure
Chemical FormulaC14H20O4
Molecular Mass252.1362
SMILESCc1c(O)cc2c(c1C)CC(O)C(O)C(C)(C)O2
InChI KeyQUNNKRSAZKTIPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxepines
Subclass benzoxepines
Direct Parent benzoxepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • ether
  • benzoxepine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • 1,2-diol