input word = C00007839

Metabolite InformationStructural formula
Name 8-(Methylsulfonyl)octyl glucosinolate
Formula C16H31NO11S3
Mw 509.10592303
CAS RN
C_ID C00007839 ,
InChIKey OZKVQSNRAFPWMK-NSLPWGAENA-N
InChICode InChI=1S/C16H31NO11S3/c1-30(22,23)9-7-5-3-2-4-6-8-12(17-28-31(24,25)26)29-16-15(21)14(20)13(19)11(10-18)27-16/h11,13-16,18-21H,2-10H2,1H3,(H,24,25,26)/b17-12-/t11-,13-,14+,15+,16+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/CCCCCCCCS(=O)(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabis turrita Ref.
PlantaeCruciferaeHeliophila amplexicaulis Ref.
PlantaeCruciferaeSinapis arvensis Ref.
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