input word = C00007795

Metabolite InformationStructural formula
Name 2-Benzoyloxy-1-methylethyl glucosinolate
Glucobenzosisymbrin
Formula C17H23NO11S2
Mw 481.07125205
CAS RN
C_ID C00007795 ,
InChIKey RMFBQEHMGDGTTH-SPSOKKQBNA-N
InChICode InChI=1S/C17H23NO11S2/c1-9(8-27-16(23)10-5-3-2-4-6-10)15(18-29-31(24,25)26)30-17-14(22)13(21)12(20)11(7-19)28-17/h2-6,9,11-14,17,19-22H,7-8H2,1H3,(H,24,25,26)/b18-15+/t9-,11+,12-,13+,14-,17-/m1/s1
SMILES O[C@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/[C@@H](COC(=O)c1ccccc1)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeAubrietia deltoidea Ref.
PlantaeCruciferaeSisymbrium austriacum Ref.
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