input word = C00038134

Metabolite InformationStructural formula
Name 12alpha-Acetoxyswietephragmin C
Formula C39H48O14
Mw 740.30440624
CAS RN 1078734-46-9
C_ID C00038134 ,
InChIKey VOAFDGNTDIOGRM-WJBAVJBWNA-N
InChICode InChI=1S/C39H48O14/c1-10-19(3)29(43)50-30-32(6)18-35(44)34(8,23(32)14-26(41)46-9)36-16-25(48-21(5)40)33(7)24(15-27(42)49-28(33)22-12-13-47-17-22)38(36)31(37(30,35)45)51-39(52-36,53-38)20(4)11-2/h10,12-13,15,17,20,23,25,28,30-31,44-45H,11,14,16,18H2,1-9H3/b19-10+/t20-,23-,25-,28-,30-,31+,32+,33-,34+,35+,36-,37-,38+,39-/m0/s1
SMILES C/C=C(C)C(=O)O[C@H]1[C@]2(C)C[C@]3(O)[C@@]1(O)C1OC4(C(C)CC)OC15C1=CC(=O)O[C@@H](c6ccoc6)[C@]1(C)[C@@H](OC(C)=O)CC5(O4)[C@]3(C)[C@H]2CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
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