input word = C00001471

Metabolite InformationStructural formula
Name Glucoerysolin
4-(Methylsulfonyl)butyl glucosinolate
Formula C12H23NO11S3
Mw 453.04332278
CAS RN 22149-26-4
C_ID C00001471 ,
InChIKey WJMGSLJQEIYHOF-MNAOBRDNNA-N
InChICode InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/b13-8+/t7-,9-,10-,11+,12+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CCCCS(=O)(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica napus var. napobrassica Ref.
PlantaeCruciferaeDescurainia richardsonii Ref.
PlantaeCruciferaeErysimum allionii Ref.
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum perofskianum Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLesquerella engelmannii Ref.
PlantaeCruciferaeThelypodium crispum Ref.
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OrganismLesquerella engelmannii
ReferenceDaxenbichler,Phytochem.,30,(1991),2623