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@]12(C(=CC(=O)O[C@H]1c1cocc1)[C@]13[C@]4(CC2)[C@]2([C@]5([C@@]([C@H]1O[C@@](O4)(O3)[C@H](C)CC)([C@H]([C@@]([C@@H]2CC(=O)OC)(C5)C)OC(=O)/C(=C/C)/C)OC(=O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia mahogani Ref.
PlantaeMeliaceaeSwietenia mahogany Ref.
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