Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:16 UTC
Update Date2025-03-25 00:46:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154135
Frequency0.5
Structure
Chemical FormulaC19H22O6
Molecular Mass346.1416
SMILESCOc1cc(CC2COC(c3ccc(O)c(O)c3)CC2O)ccc1O
InChI KeyGZBOTSLNSJLLAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound