input word = C00007844

Metabolite InformationStructural formula
Name 6-(Methylthio)hexyl glucosinolate
Glucolesquerellin
Formula C14H27NO9S3
Mw 449.08479366
CAS RN 74542-17-9
C_ID C00007844 ,
InChIKey ZAKICGFSIJSCSF-CEQIJTSBNA-N
InChICode InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/b15-10+/t9-,11-,12+,13+,14+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CCCCCCSC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeBoechera drummondii Ref.
PlantaeBrassicaceaeCardaria chalapensis Ref.
PlantaeCruciferaeAlyssum alyssoides Ref.
PlantaeCruciferaeAlyssum granatense Ref.
PlantaeCruciferaeAlyssum minutum Ref.
PlantaeCruciferaeAlyssum troodi Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArabis glabra Ref.
PlantaeCruciferaeArabis kennedyae Ref.
PlantaeCruciferaeArabis sparsiflora Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeCakile maritima Ref.
PlantaeCruciferaeChristolea crassifolia Ref.
PlantaeCruciferaeDimorphocarpa wislizenii Ref.
PlantaeCruciferaeDithyrea californica Ref.
PlantaeCruciferaeDithyrea wislizenii Ref.
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum rhaeticum Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLesquerella auriculata Ref.
PlantaeCruciferaeLesquerella lasiocarpa Ref.
PlantaeCruciferaeLesquerella lescurii Ref.
PlantaeCruciferaeLesquerella lyrata Ref.
PlantaeCruciferaeLesquerella perforata Ref.
PlantaeCruciferaeLesquerella pinetorum Ref.
PlantaeCruciferaeLobularia maritima Ref.
PlantaeCruciferaeNerisyrenia camporum Ref.
PlantaeCruciferaeNotoceras bicorne Ref.
--Paysonia densipila Ref.
--Paysonia stonensis Ref.
zoom in