input word = C00007832

Metabolite InformationStructural formula
Name 9-Methylsulfinylnonyl glucosinolate
Glucoarabin
Formula C17H33NO10S3
Mw 507.12665847
CAS RN 67920-64-3
C_ID C00007832 ,
InChIKey UZAVCHRZWLGWMH-LVTGORESNA-N
InChICode InChI=1S/C17H33NO10S3/c1-30(23)10-8-6-4-2-3-5-7-9-13(18-28-31(24,25)26)29-17-16(22)15(21)14(20)12(11-19)27-17/h12,14-17,19-22H,2-11H2,1H3,(H,24,25,26)/b18-13-/t12-,14-,15+,16+,17+,30+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/CCCCCCCCC[S@](=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeAlyssum desertorum Ref.
PlantaeCruciferaeArabis alpina Ref.
PlantaeCruciferaeArabis amplexicaulis Ref.
PlantaeCruciferaeArabis turrita Ref.
PlantaeCruciferaeBiscutella auriculata Ref.
PlantaeCruciferaeBiscutella laevigata Ref.
PlantaeCruciferaeCamelina rumelica Ref.
PlantaeCruciferaeCamelina sativa Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeDraba nemorosa Ref.
PlantaeCruciferaeNeslia paniculata Ref.
PlantaeCruciferaeRorippa dubia Ref.
PlantaeCruciferaeRorippa globosa Ref.
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