input word = C00026405

Metabolite InformationStructural formula
Name Benzosimuline
Formula C20H19NO2
Mw 305.14157886
CAS RN 198336-58-2
C_ID C00026405 ,
InChIKey OSBHLKXCNYMURI-UHFFFAOYSA-N
InChICode InChI=1S/C20H19NO2/c1-12-9-10-15-14(11-12)17-18(23-20(15,2)3)13-7-5-6-8-16(13)21(4)19(17)22/h5-11H,1-4H3
SMILES c1ccc2c(c1)c1c(c(=O)n2C)c2c(C(O1)(C)C)ccc(c2)C
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Ala
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum simulans Ref.
zoom in