input word = C00007341

Metabolite InformationStructural formula
Name 2-Methylsulfinylethyl glucosinolate
Formula C10H19NO10S3
Mw 409.01710803
CAS RN 443340-10-1
C_ID C00007341 ,
InChIKey YDIUEOOWJORKLP-WDZFZDKYNA-N
InChICode InChI=1S/C10H19NO10S3/c1-23(16)3-2-6(11-21-24(17,18)19)22-10-9(15)8(14)7(13)5(4-12)20-10/h5,7-10,12-15H,2-4H2,1H3,(H,17,18,19)/b11-6-/t5-,7-,8+,9-,10+,23+/m1/s1
SMILES C[S@](=O)CC/C(=N/OS(=O)(=O)O)/S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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OrganismArabidopsis thaliana
ReferenceKryomann,Plant Physiol.,127,(2001),1077