input word = C00038135

Metabolite InformationStructural formula
Name 12alpha-Acetoxyswietephragmin D
Formula C38H46O14
Mw 726.28875618
CAS RN 1075705-55-3
C_ID C00038135 ,
InChIKey MAALFCWFHOASHB-YOKPTYASNA-N
InChICode InChI=1S/C38H46O14/c1-10-19(4)28(42)49-29-31(6)17-34(43)33(8,22(31)13-25(40)45-9)35-15-24(47-20(5)39)32(7)23(14-26(41)48-27(32)21-11-12-46-16-21)37(35)30(36(29,34)44)50-38(51-35,52-37)18(2)3/h10-12,14,16,18,22,24,27,29-30,43-44H,13,15,17H2,1-9H3/b19-10+/t22-,24-,27-,29-,30+,31+,32-,33+,34+,35-,36-,37+,38-/m0/s1
SMILES [C@]12(C(C)C)O[C@]34C[C@@H]([C@@]5(C(=CC(=O)O[C@H]5c5cocc5)[C@]3([C@@H]([C@@]3([C@@]5([C@]4([C@H]([C@]([C@@H]3OC(=O)/C(=C/C)/C)(C5)C)CC(=O)OC)C)O)O)O2)O1)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
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