input word = C00035176

Metabolite InformationStructural formula
Name 6-O-beta-D-xylopyranosylaucubin
Formula C20H30O13
Mw 478.16864105
CAS RN 74848-99-0
C_ID C00035176 ,
InChIKey FLXYYVTUDYLYMR-UHFFFAOYNA-N
InChICode InChI=1S/C20H30O13/c21-4-7-3-10(31-19-16(27)13(24)9(23)6-30-19)8-1-2-29-18(12(7)8)33-20-17(28)15(26)14(25)11(5-22)32-20/h1-3,8-28H,4-6H2/t8-,9+,10+,11-,12+,13+,14-,15-,16+,17-,18-,19+,20+/m0/s1
SMILES O1C=C[C@@H]2[C@H]([C@@H]1O[C@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)C(=C[C@H]2O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia lepidota Ref.
zoom in