input word = C00048162

Metabolite InformationStructural formula
Name Swietenialide D
Formula C40H52O17
Mw 804.32045024
CAS RN 629654-41-7
C_ID C00048162 ,
InChIKey QTRBFWFABJVBOK-UHFFFAOYNA-N
InChICode InChI=1S/C40H52O17/c1-11-25(43)52-30-38(47)29(53-31(46)34(6)19(2)54-34)33(5)18-37(38)35(7,22(33)14-26(44)48-9)40-24(42)16-32(4,28(51-20(3)41)21-12-13-50-17-21)23(15-27(45)49-10)39(30,40)56-36(8,55-37)57-40/h12-13,17,19,22-24,28-30,42,47H,11,14-16,18H2,1-10H3/t19-,22-,23-,24-,28+,29+,30+,32+,33+,34+,35+,36+,37+,38-,39+,40-/m0/s1
SMILES CCC(=O)OC1C2(O)C(OC(=O)C3(C)OC3C)C3(C)CC24OC2(C)OC15C(CC(=O)OC)C(C)(C(OC(C)=O)c1ccoc1)CC(O)C5(O2)C4(C)C3CC(=O)OC
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