input word = C00007796

Metabolite InformationStructural formula
Name n-Butyl glucosinolate
Formula C11H21NO9S2
Mw 375.06577274
CAS RN 35535-42-3
C_ID C00007796 ,
InChIKey SYVVJZLOTVDBCP-RMBARPIJNA-N
InChICode InChI=1S/C11H21NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/b12-7-/t6-,8-,9-,10+,11+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/CCCC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis flexuosa Ref.
PlantaeCapparaceaeCapparis inermis Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeLepidium draba Ref.
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OrganismBrassica oleracea
ReferenceKjaer,A.et al.,Phytochemistry,10,(1971),3155