input word = C00007586

Metabolite InformationStructural formula
Name Gluconapin
3-Butyl glucosinolate
Formula C11H19NO9S2
Mw 373.05012267
CAS RN 19041-09-9
C_ID C00007586 ,
InChIKey PLYQBXHVYUJNQB-IAYVXCCJNA-N
InChICode InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/b12-7-/t6-,8-,9+,10-,11+/m0/s1
SMILES C=CCC/C(=N/OS(=O)(=O)O)/S[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeHirschfeldia incana Ref.
PlantaeBrassicaceaeReboudia pinnata Ref.
PlantaeBrassicaceaeSisymbrella aspera Ref.
PlantaeBrassicaceaeWasabi japonica Ref.
PlantaeCapparaceaeCapparis flexuosa Ref.
PlantaeCapparaceaeCapparis inermis Ref.
PlantaeCruciferaeAlyssoides utriculata Ref.
PlantaeCruciferaeAlyssum alyssoides Ref.
PlantaeCruciferaeAlyssum maritimum Ref.
PlantaeCruciferaeAlyssum perennial Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeAurinia saxatilis Ref.
PlantaeCruciferaeBoreava aptera Ref.
PlantaeCruciferaeBoreava orientalis Ref.
PlantaeCruciferaeBrassica juncea Ref.
PlantaeCruciferaeBrassica napus L. Ref.
PlantaeCruciferaeBrassica nigra Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeBrassica spp. Ref.
PlantaeCruciferaeBrassica sprouts Ref.
PlantaeCruciferaeCakile artica Ref.
PlantaeCruciferaeCakile constricta Ref.
PlantaeCruciferaeCakile edentula Ref.
PlantaeCruciferaeCakile geniculata Ref.
PlantaeCruciferaeCakile lanceolata Ref.
PlantaeCruciferaeCakile maritima Ref.
PlantaeCruciferaeCardamine flexuosa Ref.
PlantaeCruciferaeCardamine hirsuta Ref.
PlantaeCruciferaeCardamine impatiens Ref.
PlantaeCruciferaeCarrichtera annua Ref.
PlantaeCruciferaeChorispora purpurascens Ref.
PlantaeCruciferaeCoincya longirostra Ref.
PlantaeCruciferaeCoincya monensis Ref.
PlantaeCruciferaeCoincya rupestris Ref.
PlantaeCruciferaeConringia orientalis Ref.
PlantaeCruciferaeConringia planisiliqua Ref.
PlantaeCruciferaeCrambe filiformis Ref.
PlantaeCruciferaeCrambe juncea Ref.
PlantaeCruciferaeCrambe koktebelica Ref.
PlantaeCruciferaeCrambe maritima Ref.
PlantaeCruciferaeCrambe orientalis Ref.
PlantaeCruciferaeCrucihimalaya wallichii Ref.
PlantaeCruciferaeDescurainia appendiculata Ref.
PlantaeCruciferaeDescurainia pinnata Ref.
PlantaeCruciferaeDescurainia richardsonii Ref.
PlantaeCruciferaeDescurainia sophia Ref.
PlantaeCruciferaeDiplotaxis catholica Ref.
PlantaeCruciferaeDiplotaxis erucoides Ref.
PlantaeCruciferaeDiplotaxis siifolia Ref.
PlantaeCruciferaeDiplotaxis virgata Ref.
PlantaeCruciferaeDraba nemorosa Ref.
PlantaeCruciferaeEruca longirostris Ref.
PlantaeCruciferaeErucastrum gallicum Ref.
PlantaeCruciferaeErucastrum laevigatum Ref.
PlantaeCruciferaeFarsetia clypeata Ref.
PlantaeCruciferaeFarsetia jacquemontii Ref.
PlantaeCruciferaeFarsetia ramosissima Ref.
PlantaeCruciferaeFibigia macrocarpa Ref.
PlantaeCruciferaeHesperis matronalis Ref.
PlantaeCruciferaeIberis amara Ref.
PlantaeCruciferaeIberis crenata Ref.
PlantaeCruciferaeIsatis aleppica Ref.
PlantaeCruciferaeIsatis cappadocica Ref.
PlantaeCruciferaeIsatis costata Ref.
PlantaeCruciferaeIsatis djurdjura Ref.
PlantaeCruciferaeIsatis glauca Ref.
PlantaeCruciferaeIsatis iberica Ref.
PlantaeCruciferaeIsatis tinctoria Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLepidium subulatum Ref.
PlantaeCruciferaeLobularia maritima Ref.
PlantaeCruciferaeMoricandia arvensis Ref.
PlantaeCruciferaeNotoceras bicorne Ref.
PlantaeCruciferaePeltaria alliaceae Ref.
PlantaeCruciferaePeltaria angustifolia Ref.
PlantaeCruciferaePringlea antiscorbutica Ref.
PlantaeCruciferaeRapistrum rugosum Ref.
PlantaeCruciferaeRorippa hilariana Ref.
PlantaeCruciferaeRorippa islandica Ref.
PlantaeCruciferaeSchimpera arabica Ref.
PlantaeCruciferaeSchouwia purpurea Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeCruciferaeSinapis arvensis Ref.
PlantaeCruciferaeSisymbrium altissimum Ref.
PlantaeCruciferaeSisymbrium orientale Ref.
PlantaeCruciferaeSisymbrium pinnata Ref.
PlantaeCruciferaeSterigmostemum incanum Ref.
PlantaeCruciferaeStreptanthus arizonicus Ref.
PlantaeCruciferaeThelypodium brachycarpum Ref.
PlantaeCruciferaeThelypodium crispum Ref.
PlantaeCruciferaeThelypodium eucosmum Ref.
PlantaeCruciferaeThelypodium howellii Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
PlantaeCruciferaeThelypodium laxiflorum Ref.
PlantaeCruciferaeThelypodium paniculatum Ref.
PlantaeCruciferaeThelypodium rollinsii Ref.
PlantaeCruciferaeThelypodium texanum Ref.
PlantaeCruciferaeThelypodium wrightii Ref.
--Rhynchosinapis hispida Ref.
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OrganismDiplotaxis catholica
ReferenceDaxenbichler,Phytochem.,30,(1991),2623