input word = C00036838

Metabolite InformationStructural formula
Name Brassitin
Formula C11H12N2OS
Mw 220.06703375
CAS RN 113866-42-5
C_ID C00036838 ,
InChIKey GHGDPZHQDKPWOJ-UHFFFAOYSA-N
InChICode InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
SMILES c1ccc2c(c1)c(c[nH]2)CNC(=O)SC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas cichorii Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArabis lyrata Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica sativus Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeRaphanus sativus var.hortensis Ref.
--Cruciferae Ref.
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