input word = C00048173

Metabolite InformationStructural formula
Name Swietenitin K
(+)-Swietenitin K
Formula C43H56O18
Mw 860.34666499
CAS RN 1173892-13-1
C_ID C00048173 ,
InChIKey UGRRJIVTSSDENE-XOYSHMHANA-N
InChICode InChI=1S/C43H56O18/c1-13-22(3)31(49)55-32-34(6)21-39(56-24(5)45)36(8,26(34)17-28(47)50-10)42-27(46)18-35(7,30(54-23(4)44)25-15-16-53-20-25)38(19-29(48)51-11)43(42,60-37(9,58-38)59-42)33-41(32,39)61-40(14-2,52-12)57-33/h13,15-16,20,26-27,30,32-33,46H,14,17-19,21H2,1-12H3/b22-13+/t26-,27+,30-,32-,33+,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-/m0/s1
SMILES C(=O)(O[C@]12[C@@]3([C@]45[C@]6([C@H]7[C@@]1(O[C@@](O7)(OC)CC)[C@H]([C@]([C@@H]3CC(=O)OC)(C)C2)OC(=O)/C(=C/C)/C)[C@@]([C@@](C[C@H]4O)([C@H](c1ccoc1)OC(=O)C)C)(CC(=O)OC)O[C@](O5)(O6)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
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OrganismSwietenia macrophylla
ReferenceLin,J.Nat.Prod.,72,(2009),1305