input word = C00007835

Metabolite InformationStructural formula
Name 4-Methylsulfonyl-3-butenyl glucosinolate
Formula C12H21NO11S3
Mw 451.02767271
CAS RN
C_ID C00007835 ,
InChIKey ONOWOZMQDNLNKF-ZMOXBCKINA-N
InChICode InChI=1S/C12H21NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,20,21,22)/b5-3+,13-8+/t7-,9-,10-,11+,12+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CC/C=C/S(=O)(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
zoom in