input word = C00044857

Metabolite InformationStructural formula
Name Leandreanin A
(+)-Leandreanin A
Formula C36H44O16
Mw 732.26293536
CAS RN 561307-81-1
C_ID C00044857 ,
InChIKey IFHSRICQDQPPTA-JLOUYMTENA-N
InChICode InChI=1S/C36H44O16/c1-17(37)47-23-14-29(4,26(42)20-10-11-46-15-20)22(13-25(41)45-9)35-28(49-19(3)39)34(43)27(48-18(2)38)30(5)16-33(34)31(6,21(30)12-24(40)44-8)36(23,35)52-32(7,50-33)51-35/h10-11,15,21-23,27-28,43H,12-14,16H2,1-9H3/t21-,22+,23+,27-,28+,29+,30+,31+,32+,33+,34-,35+,36-/m0/s1
SMILES [C@@H]1([C@@]23[C@]4([C@@H]([C@@](C1)(C(=O)c1ccoc1)C)CC(=O)OC)O[C@@](O3)(C)O[C@]13[C@]([C@H]4OC(=O)C)(O)[C@H]([C@](C)(C1)[C@@H]([C@@]23C)CC(=O)OC)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeNeobeguea leandreana Ref.
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