input word = C00007824

Metabolite InformationStructural formula
Name 2-Methylbutyl glucosinolate
Formula C12H23NO9S2
Mw 389.0814228
CAS RN
C_ID C00007824 ,
InChIKey SPOQDEMWLUGCEW-SXIYDNCANA-N
InChICode InChI=1S/C12H23NO9S2/c1-3-6(2)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+/t6-,7+,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)/C[C@@H](CC)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis cartilaginea Ref.
PlantaeCapparaceaeCapparis galeata Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeCardamine amara Ref.
PlantaeCruciferaeCardamine pratensis Ref.
PlantaeCruciferaeCochlearia anglica Ref.
PlantaeCruciferaeCochlearia danica Ref.
PlantaeCruciferaeCochlearia officinalis Ref.
PlantaeCruciferaeLunaria annua Ref.
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OrganismCapparis galeata
ReferenceKjaer,Phytochem.,11,(1972),3045