input word = C00007837

Metabolite InformationStructural formula
Name 6-(Methylsulfonyl)hexyl glucosinolate
Formula C14H27NO11S3
Mw 481.0746229
CAS RN 74542-18-0
C_ID C00007837 ,
InChIKey ILRMEXURGOFHMQ-CEQIJTSBNA-N
InChICode InChI=1S/C14H27NO11S3/c1-28(20,21)7-5-3-2-4-6-10(15-26-29(22,23)24)27-14-13(19)12(18)11(17)9(8-16)25-14/h9,11-14,16-19H,2-8H2,1H3,(H,22,23,24)/b15-10+/t9-,11+,12+,13-,14-/m1/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N/OS(=O)(=O)O)/CCCCCCS(=O)(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeBoechera drummondii Ref.
PlantaeCruciferaeErysimum rhaeticum Ref.
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OrganismBoechera drummondii
ReferenceRodman,Biochem.Syst.Ecol.,8,(1980),43