input word = C00048260

Metabolite InformationStructural formula
Name 1-O-Deacetyl-6-deoxykhayanolide E
Formula C27H32O9
Mw 500.20463262
CAS RN 1189801-49-7
C_ID C00048260 ,
InChIKey NDUXTUSHTKZUKI-QKLBTFANNA-N
InChICode InChI=1S/C27H32O9/c1-23-7-5-13-25(3)14(9-15(28)33-4)24(2)11-26(25,31)19-16(20(24)29)35-17(18(23)27(13,19)32)22(30)36-21(23)12-6-8-34-10-12/h6,8,10,13-14,16-19,21,31-32H,5,7,9,11H2,1-4H3/t13-,14+,16-,17+,18-,19+,21+,23-,24-,25-,26+,27+/m1/s1
SMILES COC(=O)C[C@@H]1[C@@]2(C)[C@H]3CC[C@]4(C)C5[C@H](OC6C(=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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