input word = C00047648

Metabolite InformationStructural formula
Name 1-Deacetylkhivorin
Formula C35H42O9
Mw 606.28288294
CAS RN 5506-93-4
C_ID C00047648 ,
InChIKey ZTGPSTYYUNINKP-KXQGSIIONA-N
InChICode InChI=1S/C35H42O9/c1-19(36)41-26-16-23-31(2,3)25(42-29(38)20-10-8-7-9-11-20)17-24(37)33(23,5)22-12-14-32(4)27(21-13-15-40-18-21)43-30(39)28-35(32,44-28)34(22,26)6/h7-11,13,15,18,22-28,37H,12,14,16-17H2,1-6H3/t22-,23+,24+,25-,26-,27+,28-,32+,33-,34+,35-/m1/s1
SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)c3ccccc3)C[C@H](O)[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia mahagoni Ref.
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OrganismSwietenia mahagoni
ReferenceLin,J.Nat.Prod.,72,(2009),2084