input word = C00038858

Metabolite InformationStructural formula
Name Coumarsabin
Formula C13H14O4
Mw 234.08920894
CAS RN 81421-66-1
C_ID C00038858 ,
InChIKey ZMEDOYHRMAKLBS-UHFFFAOYSA-N
InChICode InChI=1S/C13H14O4/c1-7-5-9(15-3)6-10-11(7)12(16-4)8(2)13(14)17-10/h5-6H,1-4H3
SMILES COc1cc(C)c2c(OC)c(C)c(=O)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeucas inflata Ref.
zoom in