input word = C00026587

Metabolite InformationStructural formula
Name Brassicanate A
Formula C11H11NO2S
Mw 221.05104933
CAS RN 330195-74-9
C_ID C00026587 ,
InChIKey COGDQXHRJHDOIV-UHFFFAOYSA-N
InChICode InChI=1S/C11H11NO2S/c1-14-11(13)9-7-5-3-4-6-8(7)12-10(9)15-2/h3-6,12H,1-2H3
SMILES c1cccc2c1c(c([nH]2)SC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica napus L.ssp.rapifera Ref.
PlantaeCruciferaeBrassica napus spp.rapifera Ref.
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