input word = C00007806

Metabolite InformationStructural formula
Name 3-Hydroxybutyl glucosinolate
Formula C11H21NO10S2
Mw 391.06068736
CAS RN 35535-43-4
C_ID C00007806 ,
InChIKey ILTFVMUFIPWFNK-XGIAMTRANA-N
InChICode InChI=1S/C11H21NO10S2/c1-5(14)2-3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h5-6,8-11,13-17H,2-4H2,1H3,(H,18,19,20)/b12-7-/t5-,6+,8+,9-,10-,11-/m1/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@@H](C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis flexuosa Ref.
PlantaeCapparaceaeCapparis inermis Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
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