input word = C00031250

Metabolite InformationStructural formula
Name Rubusside A
Formula C40H64O11
Mw 720.44486289
CAS RN 577705-72-7
C_ID C00031250 ,
InChIKey IFYBSXYNYSBLNA-JCLRAIEQNA-N
InChICode InChI=1S/C40H64O11/c1-20(2)32-48-19-36(5)25-12-13-38(7)26(35(25,4)17-23(42)31(36)50-32)10-9-22-30-39(8,47)21(3)11-14-40(30,16-15-37(22,38)6)34(46)51-33-29(45)28(44)27(43)24(18-41)49-33/h9,20-21,23-33,41-45,47H,10-19H2,1-8H3/t21-,23-,24-,25-,26-,27-,28+,29-,30-,31+,32-,33+,35-,36+,37-,38-,39-,40+/m1/s1
SMILES CC(C)C1OC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5[C@H]6[C@](C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)(CC[C@@H](C)[C@@]6(C)O)CC[C@]54C)[C@@]3(C)C[C@@H](O)[C@@H]2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus allegheniensis PORT. Ref.
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