input word = C00007791

Metabolite InformationStructural formula
Name 2-(Benzoyloxy)ethyl glucosinolate
Formula C16H21NO11S2
Mw 467.05560198
CAS RN
C_ID C00007791 ,
InChIKey JKHKWVKBTQLCQP-UYTBQFLCNA-N
InChICode InChI=1S/C16H21NO11S2/c18-8-10-12(19)13(20)14(21)16(27-10)29-11(17-28-30(23,24)25)6-7-26-15(22)9-4-2-1-3-5-9/h1-5,10,12-14,16,18-21H,6-8H2,(H,23,24,25)/b17-11+/t10-,12-,13-,14+,16+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CCOC(=O)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCruciferaeMoricandia arvensis Ref.
zoom in