input word = C00007855

Metabolite InformationStructural formula
Name 4-Phenylbutyl glucosinolate
Formula C17H25NO9S2
Mw 451.09707287
CAS RN
C_ID C00007855 ,
InChIKey PJZFULXMEGMUDK-GFGZUWAPNA-N
InChICode InChI=1S/C17H25NO9S2/c19-10-12-14(20)15(21)16(22)17(26-12)28-13(18-27-29(23,24)25)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12,14-17,19-22H,4-5,8-10H2,(H,23,24,25)/b18-13-/t12-,14+,15-,16-,17-/m1/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N\OS(=O)(=O)O)/CCCCc1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArmoracia lapathifolia Ref.
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