input word = C00007845

Metabolite InformationStructural formula
Name 9-Methylthiononyl glucosinolate
Formula C17H33NO9S3
Mw 491.13174385
CAS RN 81149-01-1
C_ID C00007845 ,
InChIKey ZEOVGXUBWWNKTB-GFGZUWAPNA-N
InChICode InChI=1S/C17H33NO9S3/c1-28-10-8-6-4-2-3-5-7-9-13(18-27-30(23,24)25)29-17-16(22)15(21)14(20)12(11-19)26-17/h12,14-17,19-22H,2-11H2,1H3,(H,23,24,25)/b18-13-/t12-,14+,15-,16-,17-/m1/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N\OS(=O)(=O)O)/CCCCCCCCCSC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabis alpina Ref.
PlantaeCruciferaeArabis amplexicaulis Ref.
PlantaeCruciferaeArabis hirsuta Ref.
PlantaeCruciferaeArabis purpurea Ref.
PlantaeCruciferaeNasturtium officinale Ref.
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OrganismArabis alpina
ReferenceCole,Phytochem.,15,(1976),759