input word = C00026663

Metabolite InformationStructural formula
Name N-beta-D-glucopyranosylvincosamide
Formula C32H40N2O13
Mw 660.25303938
CAS RN 681230-48-8
C_ID C00026663 ,
InChIKey WNDCKUXSUZHURI-FFAIKRTPNA-N
InChICode InChI=1S/C32H40N2O13/c1-2-13-16-9-19-22-15(14-5-3-4-6-18(14)34(22)30-27(41)25(39)23(37)20(10-35)45-30)7-8-33(19)29(43)17(16)12-44-31(13)47-32-28(42)26(40)24(38)21(11-36)46-32/h2-6,12-13,16,19-21,23-28,30-32,35-42H,1,7-11H2/t13-,16-,19+,20+,21+,23+,24+,25-,26-,27+,28+,30+,31-,32-/m0/s1
SMILES c1ccc2c(c1)n(c1c2CCN2[C@@H]1C[C@@H]1C(=CO[C@H]([C@H]1C=C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C2=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePsychotria leiocarpa Ref.
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OrganismPsychotria leiocarpa
ReferenceHenriques,Phytochem.,65,(2004),449