input word = C00007811

Metabolite InformationStructural formula
Name 3-Hydroxy-6-(methylsufonyl)hexyl glucosinolate
Formula C14H27NO12S3
Mw 497.06953753
CAS RN
C_ID C00007811 ,
InChIKey GATIETSMNXZDRL-ONSMNUENNA-N
InChICode InChI=1S/C14H27NO12S3/c1-29(21,22)6-2-3-8(17)4-5-10(15-27-30(23,24)25)28-14-13(20)12(19)11(18)9(7-16)26-14/h8-9,11-14,16-20H,2-7H2,1H3,(H,23,24,25)/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](CCCS(=O)(=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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