input word = C00007356

Metabolite InformationStructural formula
Name 8-Methylthio-octyl glucosinolate
Formula C16H31NO9S3
Mw 477.11609379
CAS RN 80667-68-1
C_ID C00007356 ,
InChIKey CWOJBEDMJKZKAB-ATVHPVEENA-N
InChICode InChI=1S/C16H31NO9S3/c1-27-9-7-5-3-2-4-6-8-12(17-26-29(22,23)24)28-16-15(21)14(20)13(19)11(10-18)25-16/h11,13-16,18-21H,2-10H2,1H3,(H,22,23,24)/b17-12-/t11-,13-,14-,15-,16+/m0/s1
SMILES C(CCC/C(=N/OS(=O)(=O)O)/S[C@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)CCCCSC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeBoechera holboellii Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArabis amplexicaulis Ref.
PlantaeCruciferaeArabis hirsuta Ref.
PlantaeCruciferaeArabis laevigata Ref.
PlantaeCruciferaeArabis nipponica Ref.
PlantaeCruciferaeArabis stelleri Ref.
PlantaeCruciferaeArabis turrita Ref.
PlantaeCruciferaeCrucihimalaya wallichii Ref.
PlantaeCruciferaeNasturtium officinale Ref.
PlantaeCruciferaeRorippa indica Ref.
PlantaeCruciferaeRorippa sylvestris Ref.
PlantaeCruciferaeSibara virginica Ref.
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