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 O=C1CC(c2ccc(O)c(O[C@@H]3O[C@@H](CO)[C@@H](O)C(O)C3O)c2)Oc2cc(O)ccc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeButea monosperma Ref.
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