input word = C00048171

Metabolite InformationStructural formula
Name Swietenitin I
(-)-Swietenitin I
Formula C41H54O18
Mw 834.33101492
CAS RN 1173892-11-9
C_ID C00048171 ,
InChIKey FFDHWOJWWATLRR-MKRWRITFNA-N
InChICode InChI=1S/C41H54O18/c1-12-38(50-11)55-29-39(59-38)28(53-30(46)33(6)20(2)54-33)31(4)19-36(39,47)34(7,23(31)15-25(44)48-9)40-24(43)16-32(5,27(52-21(3)42)22-13-14-51-18-22)37(17-26(45)49-10)41(29,40)58-35(8,56-37)57-40/h13-14,18,20,23-24,27-29,43,47H,12,15-17,19H2,1-11H3/t20-,23+,24-,27+,28+,29-,31-,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+/m1/s1
SMILES CC[C@@]1(OC)OC2[C@]34O[C@]5(C)O[C@@]3(CC(=O)OC)[C@](C)([C@@H](OC(C)=O)c3ccoc3)C[C@@H](O)[C@]4(O5)C3(C)[C@@H](CC(=O)OC)[C@@]4(C)C[C@]3(O)[C@]2(O1)[C@H]4OC(=O)[C@@]1(C)O[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
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