input word = C00007851

Metabolite InformationStructural formula
Name 4-oxopentyl glucosinolate
3-(Methylcarbonyl)propyl glucosinolate
Formula C12H21NO10S2
Mw 403.06068736
CAS RN
C_ID C00007851 ,
InChIKey ZDYZNNLLLRZMGL-MNAOBRDNNA-N
InChICode InChI=1S/C12H21NO10S2/c1-6(15)3-2-4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h7,9-12,14,16-18H,2-5H2,1H3,(H,19,20,21)/b13-8+/t7-,9+,10+,11+,12+/m0/s1
SMILES CC(=O)CCC/C(=N/OS(=O)(=O)O)S[C@H]1OC(CO)[C@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeErysimum allionii Ref.
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