input word = C00048163

Metabolite InformationStructural formula
Name Swietenitin A
(-)-Swietenitin A
Formula C40H48O17
Mw 800.28915011
CAS RN 1173892-03-9
C_ID C00048163 ,
InChIKey WOMYAQYBQNDWIS-HUUITULLNA-N
InChICode InChI=1S/C40H48O17/c1-19-34(7,53-19)31(46)52-29-33(6)17-38-36(18-49-27(45)14-24(33)36)37-12-11-32(5,28(50-20(2)41)23-10-13-48-16-23)25(15-26(44)47-9)39(37,57-35(8,55-37)56-38)30(51-21(3)42)40(29,38)54-22(4)43/h10,13,16,19,24-25,28-30H,11-12,14-15,17-18H2,1-9H3/t19-,24+,25-,28+,29+,30+,32-,33-,34+,35-,36+,37+,38-,39-,40+/m1/s1
SMILES COC(=O)C[C@@H]1[C@](C)([C@@H](OC(C)=O)c2ccoc2)CC[C@@]23O[C@@]4(C)O[C@@]12[C@H](OC(C)=O)[C@@]1(OC(C)=O)[C@@H](OC(=O)[C@@]2(C)OC2C)[C@]2(C)C[C@@]1(O4)[C@]31COC(=O)C[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
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