Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:03 UTC
Update Date2025-03-21 18:35:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105539
Frequency25.6
Structure
Chemical FormulaC12H13NO2
Molecular Mass203.0946
SMILESCOc1ccc(NCc2ccco2)cc1
InChI KeyXOLWFGQYSFKMFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • phenylalkylamines
  • secondary alkylarylamines
  • Substituents
  • furan
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • alkyl aryl ether
  • secondary amine
  • methoxybenzene
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organoheterocyclic compound
  • organooxygen compound