input word = C00048092

Metabolite InformationStructural formula
Name Rubuside I
(-)-Rubuside I
Formula C36H58O10
Mw 650.40299807
CAS RN 1189131-80-3
C_ID C00048092 ,
InChIKey OMKNNTYEAFNBIC-IZRDZSJPNA-N
InChICode InChI=1S/C36H58O10/c1-18(2)19-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(19)36)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h19-30,37-43H,1,7-17H2,2-6H3/t19-,20+,21+,22+,23+,24+,25-,26+,27-,28+,29-,30-,32-,33+,34+,35+,36-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
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