input word = C00052098

Metabolite InformationStructural formula
Name 1,6,7-Trimethylnaphthalene
Formula C13H14
Mw 170.10955045
CAS RN 2245-38-7
C_ID C00052098
InChIKey JBXULKRNHAQMAS-UHFFFAOYSA-N
InChICode InChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3
SMILES Cc1cc2cccc(C)c2cc1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
zoom in