input word = C00007792

Metabolite InformationStructural formula
Name 3-Metyl-3-butenyl glucosinolate
Formula C12H21NO9S2
Mw 387.06577274
CAS RN
C_ID C00007792 ,
InChIKey ZFAHXTAWEOHIAJ-MNAOBRDNNA-N
InChICode InChI=1S/C12H21NO9S2/c1-6(2)3-4-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(5-14)21-12/h7,9-12,14-17H,1,3-5H2,2H3,(H,18,19,20)/b13-8-/t7-,9+,10+,11-,12-/m1/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N\OS(=O)(=O)O)/CCC(=C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis linearis Ref.
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