input word = C00007840

Metabolite InformationStructural formula
Name 5-(Methylsufinyl)pentyl glucosinolate
Formula C13H25NO11S3
Mw 467.05897284
CAS RN
C_ID C00007840 ,
InChIKey DYHNNXNLQRZJKH-JLBVWOJINA-N
InChICode InChI=1S/C13H25NO11S3/c1-27(19,20)6-4-2-3-5-9(14-25-28(21,22)23)26-13-12(18)11(17)10(16)8(7-15)24-13/h8,10-13,15-18H,2-7H2,1H3,(H,21,22,23)/b14-9-/t8-,10-,11-,12+,13+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/CCCCCS(=O)(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeCakile maritima Ref.
PlantaeCruciferaeErysimum rhaeticum Ref.
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