input word = C00007810

Metabolite InformationStructural formula
Name 3-Hydroxy-5-(methylsulfinyl)pentyl glucosinolate
Formula C13H25NO11S3
Mw 467.05897284
CAS RN
C_ID C00007810 ,
InChIKey BQYGNURPVGQLBY-JLXJLAQGNA-N
InChICode InChI=1S/C13H25NO11S3/c1-27(20)5-4-7(16)2-3-9(14-25-28(21,22)23)26-13-12(19)11(18)10(17)8(6-15)24-13/h7-8,10-13,15-19H,2-6H2,1H3,(H,21,22,23)/b14-9-/t7-,8+,10-,11+,12+,13+,27+/m0/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@@H](CC[S@](=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum hieracifolium Ref.
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