input word = C00054415

Metabolite InformationStructural formula
Name Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin
Formula C20H31NO14
Mw 509.17445471
CAS RN 370068-00-1
C_ID C00054415
InChIKey DMPTXOBZQYLBEX-YJKHFKKASA-N
InChICode InChI=1S/C20H31NO14/c21-2-1-6-8(32-19-16(30)14(28)12(26)9(4-22)33-19)3-7(24)18(11(6)25)35-20-17(31)15(29)13(27)10(5-23)34-20/h1,7-20,22-31H,3-5H2/b6-1+/t7-,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18-,19+,20+/m0/s1
SMILES N#C/C=C1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)C[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimmondsiaceaeSimmondsia chinensis Ref.
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