input word = C00007856

Metabolite InformationStructural formula
Name 3-Phenylpropyl glucosinolate
Formula C16H23NO9S2
Mw 437.0814228
CAS RN
C_ID C00007856 ,
InChIKey AAVHHGNQWFTUKS-NSLPWGAENA-N
InChICode InChI=1S/C16H23NO9S2/c18-9-11-13(19)14(20)15(21)16(25-11)27-12(17-26-28(22,23)24)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13-16,18-21H,4,7-9H2,(H,22,23,24)/b17-12-/t11-,13+,14-,15-,16-/m1/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N\OS(=O)(=O)O)/CCCc1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArmoracia lapathifolia Ref.
zoom in