input word = C00007350

Metabolite InformationStructural formula
Name 2-Phenylethylglucosinolate
Gluconasturtiin
Formula C15H21NO9S2
Mw 423.06577274
CAS RN 499-30-9
C_ID C00007350 ,
InChIKey CKIJIGYDFNXSET-WJDWOHSUNA-N
InChICode InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11-/t10-,12-,13-,14-,15+/m1/s1
SMILES c1ccc(cc1)CC/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-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeCardaria chalapensis Ref.
PlantaeBrassicaceaeHirschfeldia incana Ref.
PlantaeBrassicaceaeWasabi japonica Ref.
PlantaeCruciferaeAlyssum tortuosum Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArabis sparsiflora Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeBarbarea intermedia Ref.
PlantaeCruciferaeBarbarea orthoceras Ref.
PlantaeCruciferaeBarbarea stricta Ref.
PlantaeCruciferaeBarbarea verna Ref.
PlantaeCruciferaeBarbarea vulgaris Ref.
PlantaeCruciferaeBiscutella didyma Ref.
PlantaeCruciferaeBiscutella laevigata Ref.
PlantaeCruciferaeBrassica hirta Ref.
PlantaeCruciferaeBrassica juncea Ref.
PlantaeCruciferaeBrassica nigra Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeCakile artica Ref.
PlantaeCruciferaeCakile edentula Ref.
PlantaeCruciferaeCakile lanceolata Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeCapsella cordifolia Ref.
PlantaeCruciferaeCardamine flexuosa Ref.
PlantaeCruciferaeCardamine hirsuta Ref.
PlantaeCruciferaeDiplotaxis erucoides Ref.
PlantaeCruciferaeDiplotaxis virgata Ref.
PlantaeCruciferaeErucastrum laevigatum Ref.
PlantaeCruciferaeFarsetia clypeata Ref.
PlantaeCruciferaeHesperis matronalis Ref.
PlantaeCruciferaeLeavenworthia alabamica Ref.
PlantaeCruciferaeLeavenworthia torulosa Ref.
PlantaeCruciferaeLepidium sativum Ref.
PlantaeCruciferaeLobularia maritima Ref.
PlantaeCruciferaeMatthiola fruticulosa Ref.
PlantaeCruciferaeMatthiola parviflora Ref.
PlantaeCruciferaeMoricandia arvensis Ref.
PlantaeCruciferaeNasturtium officinale Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeRapistrum rugosum Ref.
PlantaeCruciferaeRorippa indica Ref.
PlantaeCruciferaeRorippa nasturtium-aquaticum Ref.
PlantaeCruciferaeSelenia aurea Ref.
PlantaeCruciferaeSelenia grandis Ref.
PlantaeCruciferaeSibara virginica Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeCruciferaeSinapis arvensis Ref.
PlantaeCruciferaeSisymbrium altissimum Ref.
PlantaeCruciferaeSisymbrium orientale Ref.
PlantaeCruciferaeTeesdalia nudicaulis Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
PlantaeCruciferaeThelypodium laxiflorum Ref.
PlantaeCruciferaeThelypodium milleflorum Ref.
PlantaeCruciferaeThelypodium stenopetalum Ref.
PlantaeCruciferaeThysanocarpus radians Ref.
PlantaeResedaceaeReseda alba Ref.
PlantaeResedaceaeReseda luteola Ref.
PlantaeResedaceaeReseda media Ref.
PlantaeResedaceaeReseda stricta Ref.
PlantaeResedaceaeSesamoides canescens Ref.
PlantaeResedaceaeSesamoides pygmaea Ref.
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OrganismMatthiola fruticulosa
ReferenceDaxenbichler,Phytochem.,30,(1991),2623

Cole,Phytochem.,15,(1976),759