input word = C00007348

Metabolite InformationStructural formula
Name 6-Methylsulfinylhexyl glucosinolate
Glucohesperin
Formula C14H27NO10S3
Mw 465.07970828
CAS RN 33049-17-1
C_ID C00007348 ,
InChIKey OOGAQHVYHLPICD-SCBMGVOTNA-N
InChICode InChI=1S/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/b15-10+/t9-,11-,12+,13-,14+,27-/m1/s1
SMILES [C@H]1([C@H](O[C@H]([C@@H]([C@H]1O)O)S/C(=N/OS(=O)(=O)O)/CCCCCC[S@](=O)C)CO)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeBoechera drummondii Ref.
PlantaeBrassicaceaeBoechera holboellii Ref.
PlantaeBrassicaceaeCardaria chalapensis Ref.
PlantaeBrassicaceaeWasabi japonica Ref.
PlantaeCruciferaeAlyssum alyssoides Ref.
PlantaeCruciferaeAlyssum desertorum Ref.
PlantaeCruciferaeAlyssum granatense Ref.
PlantaeCruciferaeAlyssum minutum Ref.
PlantaeCruciferaeAlyssum murale Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArabis glabra Ref.
PlantaeCruciferaeArabis perennans Ref.
PlantaeCruciferaeArabis sparsiflora Ref.
PlantaeCruciferaeBornmuellera dieckii Ref.
PlantaeCruciferaeChristolea crassifolia Ref.
PlantaeCruciferaeDimorphocarpa wislizenii Ref.
PlantaeCruciferaeDithyrea californica Ref.
PlantaeCruciferaeDithyrea wislizenii Ref.
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum rhaeticum Ref.
PlantaeCruciferaeHesperis matronalis Ref.
PlantaeCruciferaeHesperis pendula Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLesquerella auriculata Ref.
PlantaeCruciferaeLesquerella lasiocarpa Ref.
PlantaeCruciferaeLesquerella lescurii Ref.
PlantaeCruciferaeLesquerella lyrata Ref.
PlantaeCruciferaeLesquerella ovalifolia Ref.
PlantaeCruciferaeLesquerella perforata Ref.
PlantaeCruciferaeLobularia maritima Ref.
PlantaeCruciferaeLunaria annua Ref.
PlantaeCruciferaeMalcolmia africana Ref.
PlantaeCruciferaeMatthiola bicornis Ref.
PlantaeCruciferaeNerisyrenia camporum Ref.
PlantaeCruciferaeNotoceras bicorne Ref.
PlantaeCruciferaePhysaria floribunda Ref.
--Paysonia densipila Ref.
--Paysonia stonensis Ref.
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