input word = C00038617

Metabolite InformationStructural formula
Name Boivinide F
Formula C38H56O15
Mw 752.36192112
CAS RN 960233-36-7
C_ID C00038617 ,
InChIKey PFTYEQWDSBMMNY-RFNQMGJHNA-N
InChICode InChI=1S/C38H56O15/c1-18-31(53-34-30(45)29(44)28(43)26(15-39)52-34)32(47-4)33(50-19(2)41)35(49-18)51-22-7-11-37(17-40)21(14-22)5-6-25-24(37)8-10-36(3)23(9-12-38(25,36)46)20-13-27(42)48-16-20/h13,17-18,21-26,28-35,39,43-46H,5-12,14-16H2,1-4H3/t18-,21+,22+,23-,24+,25-,26-,28-,29+,30-,31+,32+,33-,34+,35+,36-,37-,38+/m1/s1
SMILES CO[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@@H]1OC(C)=O
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