input word = C00040175

Metabolite InformationStructural formula
Name Rubralin D
(-)-Rubralin D
Formula C41H58O14
Mw 774.38265656
CAS RN 1013027-44-5
C_ID C00040175 ,
InChIKey UMSDVYJDIIBTJE-FSWAWMHRNA-N
InChICode InChI=1S/C41H58O14/c1-11-37(6,49)34(46)36(48)51-20-38(7)27-16-30(54-35(47)33(45)21(2)3)40(9)26-13-12-25(24-14-15-50-19-24)39(26,8)29(52-22(4)42)17-28(40)41(27,10)31(53-23(5)43)18-32(44)55-38/h13-15,19,21,25,27-31,33-34,45-46,49H,11-12,16-18,20H2,1-10H3/t25-,27-,28-,29-,30+,31-,33+,34+,37-,38+,39?,40-,41-/m0/s1
SMILES CCC(C)(O)C(O)C(=O)OC[C@@]1(C)OC(=O)C[C@H](OC(C)=O)[C@@]2(C)[C@H]1C[C@@H](OC(=O)C(O)C(C)C)[C@@]1(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)[C@@H](OC(C)=O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCipadessa baccifera Ref.
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