input word = C00056789

Metabolite InformationStructural formula
Name Raphanuside
Formula C16H22O8S
Mw 374.10353841
CAS RN 1002127-43-6
C_ID C00056789
InChIKey DEKBHIICOGMPTO-ZZIDHEKVSA-N
InChICode InChI=1S/C16H22O8S/c1-21-8-3-7(4-9(22-2)12(8)18)11-6-25-16-15(23-11)14(20)13(19)10(5-17)24-16/h3-4,10-11,13-20H,5-6H2,1-2H3/t10-,11-,13-,14+,15-,16+/m1/s1
SMILES [H][C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])O[C@@H](C3=CC(OC)=C(O)C(OC)=C3)CS2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
zoom in