input word = C00047661

Metabolite InformationStructural formula
Name 3-Deacetylkhivorin
Formula C30H40O9
Mw 544.26723288
CAS RN 13947-03-0
C_ID C00047661 ,
InChIKey PDKGFQJSCXMICA-UWFWKJBZNA-N
InChICode InChI=1S/C30H40O9/c1-15(31)36-21-13-20(33)26(3,4)19-12-22(37-16(2)32)29(7)18(28(19,21)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)39-24/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20-,21+,22-,23+,24-,27+,28?,29+,30-/m1/s1
SMILES [C@]12([C@]3([C@@H](C(=O)O[C@H]1c1cocc1)O3)[C@]1([C@H](CC2)[C@@]2([C@@H](C[C@H]1OC(=O)C)C([C@@H](C[C@@H]2OC(=O)C)O)(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya anthotheca Ref.
PlantaeMeliaceaeKhaya madagascariensis Ref.
PlantaeMeliaceaeKhaya senegalensis Ref.
PlantaeMeliaceaeSwietenia mahagoni Ref.
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OrganismKhaya anthotheca
ReferenceAdesogan,J.Chem.Soc.,C,(1970),205

Halsall,J.Chem.Soc.,Perkin 1,(1975),1758