input word = C00007823

Metabolite InformationStructural formula
Name 1-Methylbutyl glucosinolate
Formula C12H23NO9S2
Mw 389.0814228
CAS RN
C_ID C00007823 ,
InChIKey WAHYFTSIANELBK-DVHRTUIZNA-N
InChICode InChI=1S/C12H23NO9S2/c1-3-4-6(2)11(13-22-24(18,19)20)23-12-10(17)9(16)8(15)7(5-14)21-12/h6-10,12,14-17H,3-5H2,1-2H3,(H,18,19,20)/b13-11+/t6-,7-,8-,9-,10+,12+/m0/s1
SMILES CCCC(C)/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-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeFarsetia clypeata Ref.
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