input word = C00048175

Metabolite InformationStructural formula
Name Swietenitin M
Formula C44H56O20
Mw 904.33649423
CAS RN 1173892-15-3
C_ID C00048175 ,
InChIKey GGDXKDBYBCWLOW-UHFFFAOYNA-N
InChICode InChI=1S/C44H56O20/c1-13-28(48)58-33-42(61-24(5)47)32(59-34(51)37(8)21(2)60-37)35(6)20-40(42,52)38(9,26(35)16-29(49)53-11)43-27(56-22(3)45)17-36(7,31(57-23(4)46)25-14-15-55-19-25)41(18-30(50)54-12)44(33,43)64-39(10,62-41)63-43/h14-15,19,21,26-27,31-33,52H,13,16-18,20H2,1-12H3/t21-,26+,27-,31-,32-,33+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-/m0/s1
SMILES [C@@]12([C@@H](CC(=O)OC)[C@@]3([C@]45[C@@]6([C@]([C@](C[C@@H]4OC(=O)C)([C@@H](OC(=O)C)c4ccoc4)C)(O[C@@](O6)(O5)C)CC(=O)OC)[C@@H]([C@@]([C@@]3(C2)O)([C@H]1OC(=O)[C@@]1(O[C@H]1C)C)OC(=O)C)OC(=O)CC)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