input word = C00007826

Metabolite InformationStructural formula
Name 1-Methyl-2-hydroxyetyl glucosinolate
Glucosisymbrin
Formula C10H19NO10S2
Mw 377.0450373
CAS RN 536-02-7
C_ID C00007826 ,
InChIKey WMJAKSMGNADDKY-VQHHXFJHNA-N
InChICode InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/b11-9-/t4-,5+,6+,7-,8-,10-/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@@H](CO)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeAubrietia deltoidea Ref.
PlantaeBrassicaceaeBoechera drummondii Ref.
PlantaeBrassicaceaeDentaria laciniata Ref.
PlantaeCruciferaeCapsella cordifolia Ref.
PlantaeCruciferaeLeavenworthia alabamica Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSisymbrium altissimum Ref.
PlantaeCruciferaeSisymbrium austriacum Ref.
PlantaeCruciferaeSisymbrium crassifolium Ref.
PlantaeCruciferaeSisymbrium loesilii Ref.
PlantaeCruciferaeSisymbrium polyceratium Ref.
PlantaeCruciferaeThelypodium stenopetalum Ref.
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