input word = C00007809

Metabolite InformationStructural formula
Name 3-Hydroxy-6-(methylsulfinyl)hexyl glucosinolate
Formula C14H27NO11S3
Mw 481.0746229
CAS RN
C_ID C00007809 ,
InChIKey IKQHPOZBQMEURD-DZZRTSKHNA-N
InChICode InChI=1S/C14H27NO11S3/c1-28(21)6-2-3-8(17)4-5-10(15-26-29(22,23)24)27-14-13(20)12(19)11(18)9(7-16)25-14/h8-9,11-14,16-20H,2-7H2,1H3,(H,22,23,24)/b15-10-/t8-,9+,11-,12-,13+,14+,28+/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@H](CCC[S@](=O)C)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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