input word = C00001466

Metabolite InformationStructural formula
Name Glucocheirolin
3-(Methylsufonyl)propyl glucosinolate
Formula C11H21NO11S3
Mw 439.02767271
CAS RN 15592-36-6
C_ID C00001466 ,
InChIKey OFKKQTQFWWIRBD-RMBARPIJNA-N
InChICode InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/b12-7+/t6-,8-,9+,10+,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)/CCCS(=O)(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeCheiranthus cheiri Ref.
PlantaeCruciferaeAethionema armenum Ref.
PlantaeCruciferaeArabis laevigata Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeBrassica campestris ssp. rapifera Ref.
PlantaeCruciferaeBrassica napus var. napobrassica Ref.
PlantaeCruciferaeBrassica oleracea var. botrytis Ref.
PlantaeCruciferaeCalepina irregularis Ref.
PlantaeCruciferaeErysimum allionii Ref.
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum capitatum Ref.
PlantaeCruciferaeErysimum cuspidatum Ref.
PlantaeCruciferaeErysimum diffusum Ref.
PlantaeCruciferaeErysimum hieracifolium Ref.
PlantaeCruciferaeErysimum linifolium Ref.
PlantaeCruciferaeErysimum ochrolecum Ref.
PlantaeCruciferaeErysimum perofskianum Ref.
PlantaeCruciferaeErysimum rupestre Ref.
PlantaeCruciferaeErysimum sisymbrioides Ref.
PlantaeCruciferaeGoldbachia laevigata Ref.
PlantaeCruciferaeIberis crenata Ref.
PlantaeCruciferaeIberis linifolia Ref.
PlantaeCruciferaeIberis simplex Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLesquerella douglasii Ref.
PlantaeCruciferaeMalcolmia africana Ref.
PlantaeCruciferaeMatthiola bicornis Ref.
PlantaeCruciferaeNeslia paniculata Ref.
PlantaeCruciferaeRapistrum rugosum Ref.
PlantaeCruciferaeSinapis arvensis Ref.
--Malcomia littorea Ref.
--Malcomia maritima Ref.
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OrganismErysimum rupestre
ReferenceChisholm,Phytochem.,12,(1973),605