input word = C00048259

Metabolite InformationStructural formula
Name 1-O-Deacetyl-2alpha-hydroxykhayanolide E
(+)-1-O-Deacetyl-2alpha-hydroxykhayanolide E
Formula C27H32O11
Mw 532.19446187
CAS RN 1189801-51-1
C_ID C00048259 ,
InChIKey HYZVMOOBXLITPQ-CPNWABKYNA-N
InChICode InChI=1S/C27H32O11/c1-22-7-5-12-24(3)15(13(28)18(29)35-4)23(2)10-25(24,32)20-26(12,33)16(22)14(38-27(20,34)21(23)31)19(30)37-17(22)11-6-8-36-9-11/h6,8-9,12-17,20,28,32-34H,5,7,10H2,1-4H3/t12-,13+,14+,15+,16-,17+,20+,22-,23-,24-,25+,26+,27-/m1/s1
SMILES COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@]4(C)C5[C@H](OC6(O)C(=O)[C@]1(C)C[C@]2(O)[C@H]6[C@]53O)C(=O)O[C@H]4c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya ivorensis Ref.
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OrganismKhaya ivorensis
ReferenceZhang,Phytochem.,70,(2009),1305