input word = C00038616

Metabolite InformationStructural formula
Name Boivinide E
Formula C35H52O14
Mw 696.33570637
CAS RN 960233-32-3
C_ID C00038616 ,
InChIKey ZVWJQICTCWWGNW-MNGQFYAGNA-N
InChICode InChI=1S/C35H52O14/c1-16-30(49-31-29(41)28(40)27(39)24(14-36)48-31)23(37)13-26(46-16)47-19-5-9-34(32(42)43)18(12-19)3-4-22-21(34)6-8-33(2)20(7-10-35(22,33)44)17-11-25(38)45-15-17/h11,16,18-24,26-31,36-37,39-41,44H,3-10,12-15H2,1-2H3,(H,42,43)/t16-,18+,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30+,31+,33-,34-,35+/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C(=O)O)O[C@@H]1O[C@@H]([C@@H]([C@H](C1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRoupellina boivinii Ref.
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OrganismRoupellina boivinii
ReferenceKarkare,J.Nat.Prod.,70,(2007),1766