Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:55 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155642
Frequency0.5
Structure
Chemical FormulaC15H20N2O
Molecular Mass244.1576
SMILESCc1cccc(C)c1NCc1ccc(CCN)o1
InChI KeyVRONQTGHWXDEPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass xylenes
Direct Parent m-xylenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenylalkylamines
  • secondary alkylarylamines
  • Substituents
  • furan
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • m-xylene
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound
  • organooxygen compound