input word = C00007841

Metabolite InformationStructural formula
Name 4-Methylthio-3-butenyl glucosinolate
Formula C12H21NO9S3
Mw 419.03784347
CAS RN 28463-23-2
C_ID C00007841 ,
InChIKey WKDRWPTXVNSBKA-ZMOXBCKINA-N
InChICode InChI=1S/C12H21NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,18,19,20)/b5-3+,13-8+/t7-,9-,10+,11+,12+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CC/C=C/SC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeMatthiola bicornis Ref.
PlantaeCruciferaeMatthiola fruticulosa Ref.
PlantaeCruciferaeMatthiola parviflora Ref.
PlantaeCruciferaeRaphanus raphanistrum Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeRapistrum rugosum Ref.
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OrganismRaphanus sativus
ReferenceSchultz,O.E.et al.,Arch.Pharm.(Weinheim,Ger.),288,(1955),525