input word = C00037542

Metabolite InformationStructural formula
Name Neobonaspectin B
Formula C34H44O9
Mw 596.298533
CAS RN 261949-34-2
C_ID C00037542 ,
InChIKey BNSPYHAAXNQEMW-VAWYXSNFNA-N
InChICode InChI=1S/C34H44O9/c1-11-12-23-15-28(37-6)33(29(16-23)38-7)42-22(3)14-25-19-30(39-8)34(31(20-25)40-9)43-21(2)13-24-17-26(35-4)32(41-10)27(18-24)36-5/h11-12,15-22H,13-14H2,1-10H3/b12-11+/t21-,22-/m1/s1
SMILES c1c(cc(c(c1OC)O[C@@H](Cc1cc(c(c(c1)OC)OC)OC)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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OrganismBonamia spectabilis
ReferenceTofern,Phytochem.,53,(2000),119