input word = C00001481

Metabolite InformationStructural formula
Name Glucoraphenin
4-Methylsufinyl-3-butenyl glucosinolate
Formula C12H21NO10S3
Mw 435.03275809
CAS RN 28463-24-3
C_ID C00001481 ,
InChIKey ZFLXCZJBYSPSKU-BDFBMAKHNA-N
InChICode InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3+,13-8-/t7-,9+,10+,11-,12-,25+/m1/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N\OS(=O)(=O)O)/CC/C=C/[S@@](=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeErucastrum nasturtiifolium Ref.
PlantaeCruciferaeMatthiola annua Ref.
PlantaeCruciferaeMatthiola bicornis Ref.
PlantaeCruciferaeMatthiola fruticulosa Ref.
PlantaeCruciferaeMatthiola incana Ref.
PlantaeCruciferaeMatthiola parviflora Ref.
PlantaeCruciferaeMatthiola sinuata Ref.
PlantaeCruciferaeRaphanus sativus Ref.
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OrganismErucastrum nasturtiifolium
ReferenceDaxenbichler,Phytochem.,30,(1991),2623