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 C/C=C/c1cc(OC)c(OC(C)Cc2cc(OC)c(O[C@H](C)[C@@H](OC(C)=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeBonamia spectabilis Ref.
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OrganismBonamia spectabilis
ReferenceTofern,Phytochem.,53,(2000),119