input word = C00007830

Metabolite InformationStructural formula
Name 2-Methylpropyl glucosinolate
Isobutyl glucosinolate
Formula C11H21NO9S2
Mw 375.06577274
CAS RN 38226-91-4
C_ID C00007830 ,
InChIKey SKLKAEFXBVWMJP-RMBARPIJNA-N
InChICode InChI=1S/C11H21NO9S2/c1-5(2)3-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(4-13)20-11/h5-6,8-11,13-16H,3-4H2,1-2H3,(H,17,18,19)/b12-7-/t6-,8-,9-,10+,11+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/CC(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeBoechera drummondii Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeCapsella cordifolia Ref.
PlantaeCruciferaeConringia orientalis Ref.
PlantaeCruciferaeDescurainia richardsonii Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
PlantaeCruciferaeThelypodium milleflorum Ref.
PlantaeGyrostemonaceaeTersonia brevipes Ref.
PlantaeMoringaceaeMoringa oleifera Ref.
PlantaeMoringaceaeMoringa peregrina Ref.
PlantaeTropaeolaceaeTropaeolum cochabambae Ref.
PlantaeTropaeolaceaeTropaeolum peregrinum Ref.
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OrganismTropaeolum peregrinum
ReferenceDaxenbichler,Phytochem.,30,(1991),2623