input word = C00007833

Metabolite InformationStructural formula
Name 8-Methylsulfinyl-3-oxooctyl glucosinolate
Formula C16H29NO11S3
Mw 507.09027297
CAS RN
C_ID C00007833 ,
InChIKey ASLZFGZEBCWMDV-RPHYMYJZNA-N
InChICode InChI=1S/C16H29NO11S3/c1-30(23)8-4-2-3-5-10(19)6-7-12(17-28-31(24,25)26)29-16-15(22)14(21)13(20)11(9-18)27-16/h11,13-16,18,20-22H,2-9H2,1H3,(H,24,25,26)/b17-12+/t11-,13-,14+,15+,16+,30+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CCC(=O)CCCCC[S@](=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabis hirsuta Ref.
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