input word = C00007838

Metabolite InformationStructural formula
Name 9-(Methylsulfonyl)nonyl glucosinolate
Formula C17H33NO11S3
Mw 523.1215731
CAS RN
C_ID C00007838 ,
InChIKey RVWLTFGJPNHVOT-GFGZUWAPNA-N
InChICode InChI=1S/C17H33NO11S3/c1-31(23,24)10-8-6-4-2-3-5-7-9-13(18-29-32(25,26)27)30-17-16(22)15(21)14(20)12(11-19)28-17/h12,14-17,19-22H,2-11H2,1H3,(H,25,26,27)/b18-13+/t12-,14-,15+,16+,17+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CCCCCCCCCS(=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.
PlantaeCruciferaeHeliophila amplexicaulis Ref.
PlantaeCruciferaeSinapis arvensis Ref.
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OrganismSinapis arvensis
ReferenceCole,Phytochem.,15,(1976),759