input word = C00034898

Metabolite InformationStructural formula
Name Swietephragmin B
Formula C39H48O13
Mw 724.30949162
CAS RN 878786-90-4
C_ID C00034898 ,
InChIKey HOKJOPUNHSFUMB-ADBOMKEBNA-N
InChICode InChI=1S/C39H48O13/c1-10-20(3)29(43)48-30-33(7)19-35(44)34(8,24(33)16-26(41)45-9)36-14-13-32(6)25(17-27(42)47-28(32)23-12-15-46-18-23)37(36)31(38(30,35)49-22(5)40)50-39(51-36,52-37)21(4)11-2/h10,12,15,17-18,21,24,28,30-31,44H,11,13-14,16,19H2,1-9H3/b20-10+/t21-,24+,28+,30+,31+,32-,33-,34-,35-,36+,37-,38+,39+/m1/s1
SMILES C/C=C(C)C(=O)O[C@H]1[C@]2(C)C[C@]3(O)[C@@]1(OC(C)=O)[C@H]1OC4(C(C)CC)O[C@@]5(CC[C@]6(C)C(=CC(=O)O[C@H]6c6ccoc6)[C@@]15O4)[C@]3(C)[C@H]2CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia mahogani Ref.
PlantaeMeliaceaeSwietenia mahogany Ref.
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