input word = C00007808

Metabolite InformationStructural formula
Name 1-(Hydroxymethyl)propyl glucosynolate
Formula C11H21NO10S2
Mw 391.06068736
CAS RN
C_ID C00007808 ,
InChIKey MHOJGJYNQDZGAQ-TWDSYGPXNA-N
InChICode InChI=1S/C11H21NO10S2/c1-2-5(3-13)10(12-22-24(18,19)20)23-11-9(17)8(16)7(15)6(4-14)21-11/h5-9,11,13-17H,2-4H2,1H3,(H,18,19,20)/b12-10-/t5-,6+,7-,8+,9+,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)/[C@@H](CC)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeCapsella cordifolia Ref.
PlantaeCruciferaeThelypodium stenopetalum Ref.
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