input word = C00007812

Metabolite InformationStructural formula
Name 3-Hydroxy-5-(methylsulfonyl)pentyl glucosinolate
Formula C13H25NO12S3
Mw 483.05388746
CAS RN
C_ID C00007812 ,
InChIKey BEQHDLMXXRGNLT-PHPNGTLINA-N
InChICode InChI=1S/C13H25NO12S3/c1-28(20,21)5-4-7(16)2-3-9(14-26-29(22,23)24)27-13-12(19)11(18)10(17)8(6-15)25-13/h7-8,10-13,15-19H,2-6H2,1H3,(H,22,23,24)/b14-9-/t7-,8+,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)/CC[C@@H](CCS(=O)(=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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