input word = C00007352

Metabolite InformationStructural formula
Name 7-(Methylsulfinyl)heptyl glucosinolate
Glucoibarin
Formula C15H29NO10S3
Mw 479.09535835
CAS RN 112572-51-7
C_ID C00007352 ,
InChIKey LQZALQLZOQQFGM-UGBYIWTFNA-N
InChICode InChI=1S/C15H29NO10S3/c1-28(21)8-6-4-2-3-5-7-11(16-26-29(22,23)24)27-15-14(20)13(19)12(18)10(9-17)25-15/h10,12-15,17-20H,2-9H2,1H3,(H,22,23,24)/b16-11+/t10-,12-,13+,14-,15+,28-/m1/s1
SMILES [C@H]1([C@H](O[C@H]([C@@H]([C@H]1O)O)S/C(=N/OS(=O)(=O)O)/CCCCCCC[S@](=O)C)CO)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeSisymbrella aspera Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArabis glabra Ref.
PlantaeCruciferaeArabis sparsiflora Ref.
PlantaeCruciferaeCrucihimalaya wallichii Ref.
PlantaeCruciferaeNasturtium officinale Ref.
PlantaeCruciferaeNerisyrenia camporum Ref.
PlantaeCruciferaeRorippa globosa Ref.
PlantaeCruciferaeRorippa islandica Ref.
PlantaeCruciferaeSibara virginica Ref.
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