input word = C00048088

Metabolite InformationStructural formula
Name Rubuside E
(+)-Rubuside E
Formula C36H56O9
Mw 632.39243339
CAS RN 1189131-76-7
C_ID C00048088 ,
InChIKey GWYQGWNTTYSJEW-UIFSCCKTNA-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 C1(=C(CC[C@]2([C@@H]1C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(C[C@H]([C@H](C1(C)C)O)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
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