input word = C00001463

Metabolite InformationStructural formula
Name Glucobrassicanapin
4-Pentenyl glucosinolate
Formula C12H21NO9S2
Mw 387.06577274
CAS RN 19041-10-2
C_ID C00001463 ,
InChIKey XMJFVIGTHMOGNZ-PCVOTWNSNA-N
InChICode InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/b13-8-/t7-,9-,10+,11+,12+/m1/s1
SMILES S([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C(=N\OS(=O)(=O)O)/CCCC=C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeHirschfeldia incana Ref.
PlantaeBrassicaceaeWasabi japonica Ref.
PlantaeCruciferaeAlyssum alyssoides Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeAurinia saxatilis Ref.
PlantaeCruciferaeBerteroa incana Ref.
PlantaeCruciferaeBrassica campestris ssp. rapifera Ref.
PlantaeCruciferaeBrassica juncea Ref.
PlantaeCruciferaeBrassica napus Ref.
PlantaeCruciferaeBrassica napus var. napobrassica Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeBrassica sp. Ref.
PlantaeCruciferaeCakile edentula Ref.
PlantaeCruciferaeCakile lanceolata Ref.
PlantaeCruciferaeCakile maritima Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeCardamine hirsuta Ref.
PlantaeCruciferaeCardamine impatiens Ref.
PlantaeCruciferaeCarrichtera annua Ref.
PlantaeCruciferaeDescurainia pinnata Ref.
PlantaeCruciferaeDescurainia richardsonii Ref.
PlantaeCruciferaeDiplotaxis siifolia Ref.
PlantaeCruciferaeLeavenworthia torulosa Ref.
PlantaeCruciferaeLepidium draba Ref.
PlantaeCruciferaeLepidium subulatum Ref.
PlantaeCruciferaeLobularia maritima Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSchouwia purpurea Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeCruciferaeThelypodium crispum Ref.
PlantaeCruciferaeThelypodium eucosmum Ref.
PlantaeCruciferaeThelypodium howellii Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
PlantaeCruciferaeThelypodium laxiflorum Ref.
PlantaeCruciferaeThelypodium paniculatum Ref.
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OrganismSchouwia purpurea
ReferenceGhaout,J.Chem.Ecol.,17,(1991),1499