input word = C00048091

Metabolite InformationStructural formula
Name Rubuside H
(-)-Rubuside H
Formula C36H56O10
Mw 648.38734801
CAS RN 1189131-79-0
C_ID C00048091 ,
InChIKey YINSJSDSZOATAN-IEQMISQMNA-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/h7-8,18-19,21-24,26-30,37-43H,9-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1
SMILES 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(=C2[C@H]1C)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C
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