input word = C00007836

Metabolite InformationStructural formula
Name 10-(Methylsulfonyl)decyl glucosinolate
Formula C18H35NO11S3
Mw 537.13722316
CAS RN
C_ID C00007836 ,
InChIKey OXRGWZCDUAINIB-DXBDGXQSNA-N
InChICode InChI=1S/C18H35NO11S3/c1-32(24,25)11-9-7-5-3-2-4-6-8-10-14(19-30-33(26,27)28)31-18-17(23)16(22)15(21)13(12-20)29-18/h13,15-18,20-23H,2-12H2,1H3,(H,26,27,28)/b19-14+/t13-,15-,16+,17+,18+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CCCCCCCCCCS(=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.
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