input word = C00007669

Metabolite InformationStructural formula
Name 2-Benzoyloxy-3-butenyl glucosinolate
Formula C18H23NO11S2
Mw 493.07125205
CAS RN 356534-71-9
C_ID C00007669 ,
InChIKey NCAVLZAQUKCVIQ-JGMRRROVNA-N
InChICode InChI=1S/C18H23NO11S2/c1-2-11(28-17(24)10-6-4-3-5-7-10)8-13(19-30-32(25,26)27)31-18-16(23)15(22)14(21)12(9-20)29-18/h2-7,11-12,14-16,18,20-23H,1,8-9H2,(H,25,26,27)/b19-13+/t11-,12+,14-,15-,16-,18-/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[C@@H](C=C)OC(=O)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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