input word = C00048174

Metabolite InformationStructural formula
Name Swietenitin L
Formula C42H54O19
Mw 862.32592955
CAS RN 1173892-14-2
C_ID C00048174 ,
InChIKey DAEKRFAIUXMGIW-UHFFFAOYNA-N
InChICode InChI=1S/C42H54O19/c1-12-26(46)55-31-40(58-22(4)44)30(56-32(49)35(7)20(2)57-35)33(5)19-38(40,50)36(8,24(33)15-27(47)51-10)41-25(45)16-34(6,29(54-21(3)43)23-13-14-53-18-23)39(17-28(48)52-11)42(31,41)61-37(9,59-39)60-41/h13-14,18,20,24-25,29-31,45,50H,12,15-17,19H2,1-11H3/t20-,24-,25-,29+,30+,31-,33+,34-,35-,36+,37-,38+,39+,40-,41+,42+/m1/s1
SMILES [C@@]12([C@@H](CC(=O)OC)[C@@]3([C@]45[C@@]6([C@]([C@](C[C@H]4O)([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