input word = C00036825

Metabolite InformationStructural formula
Name Bonaspectin B
(+)-Bonaspectin B
Formula C35H46O10
Mw 626.30909769
CAS RN 261949-30-8
C_ID C00036825 ,
InChIKey TUBIIAQMYMFEQR-OBZOCDMLNA-N
InChICode InChI=1S/C35H46O10/c1-19(12-22-13-25(36-4)33(42-10)26(14-22)37-5)44-35-29(40-8)17-24(18-30(35)41-9)32-21(3)20(2)31(45-32)23-15-27(38-6)34(43-11)28(16-23)39-7/h13-21,31-32H,12H2,1-11H3/t19-,20+,21-,31-,32+/m1/s1
SMILES COc1cc(CC(C)Oc2c(OC)cc([C@@H]3O[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeBonamia spectabilis Ref.
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