Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:46 UTC
Update Date2025-03-21 18:02:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038023
Frequency92.2
Structure
Chemical FormulaC12H16O7
Molecular Mass272.0896
SMILESOCC1OC(c2ccc(O)cc2O)C(O)C(O)C1O
InChI KeyPDXPEMLNNWECAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • dialkyl ether
  • resorcinol
  • oxacycle
  • saccharide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound