input word = C00007842

Metabolite InformationStructural formula
Name 10-(Methylthio)decyl glucosinolate
Formula C18H35NO9S3
Mw 505.14739391
CAS RN
C_ID C00007842 ,
InChIKey KFPOPRFDIVDLBV-DXBDGXQSNA-N
InChICode InChI=1S/C18H35NO9S3/c1-29-11-9-7-5-3-2-4-6-8-10-14(19-28-31(24,25)26)30-18-17(23)16(22)15(21)13(12-20)27-18/h13,15-18,20-23H,2-12H2,1H3,(H,24,25,26)/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)/CCCCCCCCCCSC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabis amplexicaulis Ref.
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