input word = C00007344

Metabolite InformationStructural formula
Name Glucoerucin
4-Methylthiobutyl glucosinolate
Formula C12H23NO9S3
Mw 421.05349353
CAS RN 21973-56-8
C_ID C00007344 ,
InChIKey GKUMMDFLKGFCKH-JYRVWZFONA-N
InChICode InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8-/t7-,9+,10-,11-,12+/m0/s1
SMILES S(CCCC/C(=N/OS(=O)(=O)O)/S[C@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeCardaria chalapensis Ref.
PlantaeBrassicaceaeCheiranthus cheiri Ref.
PlantaeCruciferaeAlyssoides utriculata Ref.
PlantaeCruciferaeAlyssum argenteum Ref.
PlantaeCruciferaeAlyssum chondrogynum Ref.
PlantaeCruciferaeAlyssum tortuosum Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeAurinia saxatilis Ref.
PlantaeCruciferaeBrassica campestris ssp. rapifera Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica oleracea var. capitata Ref.
PlantaeCruciferaeBrassica oleracea var. napobrassica Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeBrassica sprouts Ref.
PlantaeCruciferaeCakile constricta Ref.
PlantaeCruciferaeCakile edentula Ref.
PlantaeCruciferaeCakile geniculata Ref.
PlantaeCruciferaeCakile lanceolata Ref.
PlantaeCruciferaeCakile maritima Ref.
PlantaeCruciferaeCamelina sativa Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeCarrichtera annua Ref.
PlantaeCruciferaeChorispora tenella Ref.
PlantaeCruciferaeDiplotaxis erucoides Ref.
PlantaeCruciferaeDiplotaxis griffithii Ref.
PlantaeCruciferaeDiplotaxis tenuifolia Ref.
PlantaeCruciferaeDiplotaxis viminea Ref.
PlantaeCruciferaeDraba aizoides Ref.
PlantaeCruciferaeEruca longirostris Ref.
PlantaeCruciferaeEruca sativa Ref.
PlantaeCruciferaeErysimum allionii Ref.
PlantaeCruciferaeErysimum cheiranthoides Ref.
PlantaeCruciferaeErysimum hieracifolium Ref.
PlantaeCruciferaeErysimum perofskianum Ref.
PlantaeCruciferaeErysimum repandum Ref.
PlantaeCruciferaeFarsetia clypeata Ref.
PlantaeCruciferaeFarsetia jacquemontii Ref.
PlantaeCruciferaeFarsetia ramosissima Ref.
PlantaeCruciferaeHesperis matronalis Ref.
PlantaeCruciferaeIberis amara Ref.
PlantaeCruciferaeIberis sempervirens Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLepidium iberis Ref.
PlantaeCruciferaeLepidium perfoliatum Ref.
PlantaeCruciferaeLesquerella engelmannii Ref.
PlantaeCruciferaeLesquerella globosa Ref.
PlantaeCruciferaeMatthiola bicornis Ref.
PlantaeCruciferaeMatthiola fruticulosa Ref.
PlantaeCruciferaePhysaria angustifolia Ref.
PlantaeCruciferaePringlea antiscorbutica Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeCruciferaeThelypodium crispum Ref.
PlantaeCruciferaeThelypodium eucosmum Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
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OrganismCarrichtera annua
ReferenceDaxenbichler,Phytochem.,30,(1991),2623