input word = C00062441

Metabolite InformationStructural formula
Name 1-Methylxanthine
Formula C6H6N4O2
Mw 166.04907547
CAS RN 6136-37-4
C_ID C00062441
InChIKey MVOYJPOZRLFTCP-UHFFFAOYSA-N
InChICode InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
SMILES Cn1c(=O)[nH]c2nc[nH]c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
zoom in