input word = C00007850

Metabolite InformationStructural formula
Name 5-Oxooctyl glucosinolate
Glucocappasalin
Formula C15H27NO10S2
Mw 445.10763755
CAS RN 59204-63-6
C_ID C00007850 ,
InChIKey UQSFCPSWOYYLEN-OWMNFUGINA-N
InChICode InChI=1S/C15H27NO10S2/c1-2-5-9(18)6-3-4-7-11(16-26-28(22,23)24)27-15-14(21)13(20)12(19)10(8-17)25-15/h10,12-15,17,19-21H,2-8H2,1H3,(H,22,23,24)/b16-11-/t10-,12+,13+,14+,15+/m0/s1
SMILES O[C@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/CCCCC(=O)CCC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis salicifolia Ref.
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