input word = C00007545

Metabolite InformationStructural formula
Name Glucoraphanin
4-Methylsulphinylbutyl glucosinolate
Formula C12H23NO10S3
Mw 437.04840815
CAS RN 21414-41-5
C_ID C00007545 ,
InChIKey GMMLNKINDDUDCF-ZMKUWUBANA-N
InChICode InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8-/t7-,9-,10+,11+,12+,25+/m0/s1
SMILES C(=N\OS(=O)(=O)O)(\S[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO)/CCCC[S@](=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeCardaria chalapensis Ref.
PlantaeBrassicaceaeEuzomodendron bourgaeanum Ref.
PlantaeCruciferaeAlyssoides utriculata Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBiscutella didyma Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica oleracea var. botrytis Ref.
PlantaeCruciferaeBrassica oleracea var. capitata Ref.
PlantaeCruciferaeBrassica oleracea var. gemmifera Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeBrassica sp. Ref.
PlantaeCruciferaeBrassica sprouts Ref.
PlantaeCruciferaeBunias orientalis Ref.
PlantaeCruciferaeCakile edentula Ref.
PlantaeCruciferaeCakile maritima Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeChorispora tenella Ref.
PlantaeCruciferaeDiplotaxis griffithii Ref.
PlantaeCruciferaeDiplotaxis tenuifolia Ref.
PlantaeCruciferaeEruca longirostris Ref.
PlantaeCruciferaeErysimum allionii Ref.
PlantaeCruciferaeErysimum perofskianum Ref.
PlantaeCruciferaeFarsetia clypeata Ref.
PlantaeCruciferaeFarsetia jacquemontii Ref.
PlantaeCruciferaeFibigia macrocarpa Ref.
PlantaeCruciferaeIsatis djurdjura Ref.
PlantaeCruciferaeIsatis tinctoria Ref.
PlantaeCruciferaeLepidium austrinum Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLepidium perfoliatum Ref.
PlantaeCruciferaeLesquerella engelmannii Ref.
PlantaeCruciferaeLesquerella ludoviciana Ref.
PlantaeCruciferaeMalcolmia africana Ref.
PlantaeCruciferaePhysaria angustifolia Ref.
PlantaeCruciferaePhysaria floribunda Ref.
PlantaeCruciferaePringlea antiscorbutica Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSterigmostemum incanum Ref.
PlantaeCruciferaeThelypodium crispum Ref.
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OrganismFarsetia clypeata
ReferenceDaxenbichler,Phytochem.,30,(1991),2623