input word = C00007813

Metabolite InformationStructural formula
Name 3-Hydroxy-6-(methylthio)hexyl glucosinolate
Formula C14H27NO10S3
Mw 465.07970828
CAS RN
C_ID C00007813 ,
InChIKey HIJXEWKOXQGKSZ-ONSMNUENNA-N
InChICode InChI=1S/C14H27NO10S3/c1-26-6-2-3-8(17)4-5-10(15-25-28(21,22)23)27-14-13(20)12(19)11(18)9(7-16)24-14/h8-9,11-14,16-20H,2-7H2,1H3,(H,21,22,23)/b15-10-/t8-,9-,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)/CC[C@@H](CCCSC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeErysimum rhaeticum Ref.
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