input word = C00040793

Metabolite InformationStructural formula
Name 2,6-Dihydroxyfissinolide
(-)-2,6-Dihydroxyfissinolide
Formula C29H36O10
Mw 544.23084737
CAS RN 220211-38-1
C_ID C00040793 ,
InChIKey JWYNOYIKTIPXBD-GCFGIJQYNA-N
InChICode InChI=1S/C29H36O10/c1-14(30)38-25-26(2,3)21(20(32)23(33)36-6)28(5)17-7-9-27(4)18(16(17)12-29(25,35)24(28)34)11-19(31)39-22(27)15-8-10-37-13-15/h8,10,13,17,20-22,25,32,35H,7,9,11-12H2,1-6H3/t17-,20-,21-,22-,25-,27+,28+,29-/m0/s1
SMILES COC(=O)C(O)[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya senegalensis Ref.
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OrganismKhaya senegalensis
ReferenceKhalid,Phytochem.,49,(1998),1769