input word = C00007854

Metabolite InformationStructural formula
Name n-Phenyl glucosinolate
Formula C13H17NO9S2
Mw 395.03447261
CAS RN
C_ID C00007854 ,
InChIKey GRAICMFMJYOUGA-PCZIVRPNNA-N
InChICode InChI=1S/C13H17NO9S2/c15-6-8-9(16)10(17)11(18)13(22-8)24-12(14-23-25(19,20)21)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,19,20,21)/b14-12-/t8-,9-,10+,11+,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)/c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Phe
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArmoracia lapathifolia Ref.
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