input word = C00007793

Metabolite InformationStructural formula
Name 2-Benzoyloxy-1-ethylethyl glucosinolate
Glucobenzsisaustricin
Formula C18H25NO11S2
Mw 495.08690211
CAS RN
C_ID C00007793 ,
InChIKey SOSNSVMIXHJRHT-DTOILHFSNA-N
InChICode InChI=1S/C18H25NO11S2/c1-2-10(9-28-17(24)11-6-4-3-5-7-11)16(19-30-32(25,26)27)31-18-15(23)14(22)13(21)12(8-20)29-18/h3-7,10,12-15,18,20-23H,2,8-9H2,1H3,(H,25,26,27)/b19-16-/t10-,12+,13-,14-,15+,18+/m0/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)CC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp Secologanin
Organism
Kingdom Family Species Reference
PlantaeCruciferaeSisymbrium austriacum Ref.
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OrganismSisymbrium austriacum
ReferenceAhmed,Planta Medica,21,(1972),35