input word = C00048086

Metabolite InformationStructural formula
Name Rubuside C
(+)-Rubuside C
Formula C36H56O10
Mw 648.38734801
CAS RN 1189131-74-5
C_ID C00048086 ,
InChIKey YUQOBDWWVKXUMV-RSXNGHDLNA-N
InChICode InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-24,26-30,37-43H,8-17H2,1-6H3/t18-,21-,22-,23-,24-,26-,27+,28-,29-,30+,32-,33+,34-,35-,36+/m1/s1
SMILES C1(=C2[C@](CC[C@H]1C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@]2(C[C@H]([C@H]([C@@]1(C)CO)O)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
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