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 COc1cc([C@@H](O)[C@H](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.
zoom in