input word = C00007790

Metabolite InformationStructural formula
Name 2-(alpha-L-Arabinopyranosyloxyl)-2-phenylethyl glucosinolate
Formula C20H29NO14S2
Mw 571.1029461
CAS RN 80754-95-6
C_ID C00007790 ,
InChIKey TZJUOXNQZNCHSG-BSWMVFCSNA-N
InChICode InChI=1S/C20H29NO14S2/c22-7-12-15(25)16(26)18(28)20(34-12)36-13(21-35-37(29,30)31)6-11(9-4-2-1-3-5-9)33-19-17(27)14(24)10(23)8-32-19/h1-5,10-12,14-20,22-28H,6-8H2,(H,29,30,31)/b21-13+/t10-,11+,12+,14-,15+,16-,17-,18-,19-,20-/m1/s1
SMILES O=S(=O)(O)O/N=C(/CC(OC1OCC(O)[C@H](O)[C@@H]1O)c1ccccc1)S[C@H]1OC(CO)[C@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeResedaceaeSesamoides canescens Ref.
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