input word = C00037541

Metabolite InformationStructural formula
Name Neobonaspectin A
(+)-Neobonaspectin A
Formula C36H42O11
Mw 650.27271219
CAS RN 261949-33-1
C_ID C00037541 ,
InChIKey UAPDIOXNFGCASE-RGGBHSQKNA-N
InChICode InChI=1S/C36H46O11/c1-12-13-24-15-27(38-5)35(28(16-24)39-6)45-21(2)14-25-17-29(40-7)36(30(18-25)41-8)46-22(3)33(47-23(4)37)26-19-31(42-9)34(44-11)32(20-26)43-10/h12-13,15-22,33H,14H2,1-11H3/b13-12+/t21-,22-,33-/m1/s1
SMILES c1c(cc(c(c1OC)O[C@@H]([C@H](c1cc(c(c(c1)OC)OC)OC)OC(=O)C)C)OC)C[C@H](Oc1c(cc(cc1OC)/C=C/C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeBonamia spectabilis Ref.
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