input word = C00036827

Metabolite InformationStructural formula
Name Bonaspectin E
Formula C35H46O11
Mw 642.30401231
CAS RN 479199-13-8
C_ID C00036827 ,
InChIKey QZRCSOMRGLAYAZ-OWTZNSIBNA-N
InChICode InChI=1S/C35H46O11/c1-18-19(2)32(46-31(18)22-14-26(39-6)34(44-11)27(15-22)40-7)23-16-28(41-8)35(29(17-23)42-9)45-20(3)30(36)21-12-24(37-4)33(43-10)25(13-21)38-5/h12-20,30-32,36H,1-11H3/t18-,19+,20+,30+,31+,32-/m1/s1
SMILES [C@H]1([C@@H]([C@@H]([C@@H](O1)c1cc(c(c(c1)OC)O[C@@H](C)[C@@H](c1cc(c(c(c1)OC)OC)OC)O)OC)C)C)c1cc(c(c(c1)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeBonamia spectabilis Ref.
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