input word = C00048087

Metabolite InformationStructural formula
Name Rubuside D
(+)-Rubuside D
Formula C36H56O9
Mw 632.39243339
CAS RN 1189131-75-6
C_ID C00048087 ,
InChIKey GWYQGWNTTYSJEW-APOHABEHNA-N
InChICode InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,21-30,37-42H,9-17H2,1-7H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1
SMILES CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
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OrganismRubus ellipticus var.obcordatus
ReferenceLi,J.Nat.Prod.,72,(2009),1755