input word = C00007355

Metabolite InformationStructural formula
Name 8-Methylsulfinyloctyl glucosinolate
Glucohirsutin
Formula C16H31NO10S3
Mw 493.11100841
CAS RN 21973-60-4
C_ID C00007355 ,
InChIKey GPMDJOOLATZDQL-YXBJVNSWNA-N
InChICode InChI=1S/C16H31NO10S3/c1-29(22)9-7-5-3-2-4-6-8-12(17-27-30(23,24)25)28-16-15(21)14(20)13(19)11(10-18)26-16/h11,13-16,18-21H,2-10H2,1H3,(H,23,24,25)/b17-12-/t11-,13-,14+,15-,16+,29-/m1/s1
SMILES [C@H]1([C@H](O[C@H]([C@@H]([C@H]1O)O)S/C(=N\OS(=O)(=O)O)/CCCCCCCC[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 amplexicaulis Ref.
PlantaeCruciferaeArabis hirsuta Ref.
PlantaeCruciferaeArabis laevigata Ref.
PlantaeCruciferaeArabis nipponica Ref.
PlantaeCruciferaeArabis stelleri Ref.
PlantaeCruciferaeArabis turrita Ref.
PlantaeCruciferaeBiscutella auriculata Ref.
PlantaeCruciferaeBiscutella laevigata Ref.
PlantaeCruciferaeCrucihimalaya wallichii Ref.
PlantaeCruciferaeLepidium sativum Ref.
PlantaeCruciferaeNasturtium officinale Ref.
PlantaeCruciferaeRorippa dubia Ref.
PlantaeCruciferaeRorippa globosa Ref.
PlantaeCruciferaeRorippa hilariana Ref.
PlantaeCruciferaeRorippa indica Ref.
PlantaeCruciferaeRorippa islandica Ref.
PlantaeCruciferaeRorippa sylvestris Ref.
PlantaeCruciferaeSibara virginica Ref.
--Tchihatchewia isatidea Ref.
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