input word = C00007825

Metabolite InformationStructural formula
Name 3-Methylbutyl glucosinolate
Formula C12H23NO9S2
Mw 389.0814228
CAS RN
C_ID C00007825 ,
InChIKey IGFSKYBVOPSATL-MNAOBRDNNA-N
InChICode InChI=1S/C12H23NO9S2/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/h6-7,9-12,14-17H,3-5H2,1-2H3,(H,18,19,20)/b13-8+/t7-,9-,10-,11+,12+/m0/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
PlantaeCruciferaeArmoracia lapathifolia Ref.
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OrganismArmoracia lapathifolia
ReferenceEttlinger,Recent Adv. Phytochem.,1,(1968),59