Hmdb loader

Showing information for DMID00104000

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:25 UTC
Update Date2025-03-21 18:35:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104000
Frequency26.1
Structure
Chemical FormulaC21H25NO4
Molecular Mass355.1784
SMILESCOc1cc(CC(CO)C(CO)Cc2c[nH]c3ccccc23)ccc1O
InChI KeyYZXQAXZGZDYKJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • methoxybenzenes
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • primary alcohols
  • pyrroles
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound