input word = C00048261

Metabolite InformationStructural formula
Name 1-O-Deacetylkhayanolide E
Formula C27H32O10
Mw 516.19954724
CAS RN 1007387-95-2
C_ID C00048261 ,
InChIKey TYWPPOPXVDAORZ-XBPAOWAKNA-N
InChICode InChI=1S/C27H32O10/c1-23-7-5-12-25(3)16(13(28)21(30)34-4)24(2)10-26(25,32)18-14(19(24)29)36-15(17(23)27(12,18)33)22(31)37-20(23)11-6-8-35-9-11/h6,8-9,12-18,20,28,32-33H,5,7,10H2,1-4H3/t12-,13+,14+,15+,16+,17-,18+,20+,23-,24-,25-,26+,27+/m1/s1
SMILES [C@@]12([C@@]3([C@H]4CC[C@@]5([C@@H]6[C@]4(O)[C@H]1[C@@H](C(=O)[C@]([C@@H]3[C@@H](C(=O)OC)O)(C)C2)O[C@@H]6C(=O)O[C@H]5c1cocc1)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya senegalensis Ref.
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