input word = C00008278

Metabolite InformationStructural formula
Name Isomonospermoside
Formula C21H22O10
Mw 434.12129692
CAS RN 30382-20-8
C_ID C00008278 ,
InChIKey DYRDBDVHLCRXAE-YXKUKKDZNA-N
InChICode InChI=1S/C21H22O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-5-9(1-4-12(16)24)14-7-13(25)11-3-2-10(23)6-15(11)29-14/h1-6,14,17-24,26-28H,7-8H2/t14-,17-,18+,19-,20+,21+/m0/s1
SMILES c1(ccc2c(c1)O[C@@H](CC2=O)c1ccc(c(c1)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeButea monosperma Ref.
zoom in