input word = C00045530

Metabolite InformationStructural formula
Name 1-O-Acetylkhayanolide B
Formula C29H36O11
Mw 560.22576199
CAS RN 309946-47-2
C_ID C00045530 ,
InChIKey NVAICDOAKPCBRQ-QDFJNGTDNA-N
InChICode InChI=1S/C29H36O11/c1-13(30)39-27-12-24(2)19(17(32)23(34)36-5)26(27,4)15-6-8-25(3)22(14-7-9-37-11-14)38-16(31)10-28(25)29(15,35)20(27)18(40-28)21(24)33/h7,9,11,15,17-22,32-33,35H,6,8,10,12H2,1-5H3/t15-,17+,18-,19+,20+,21-,22+,24-,25+,26-,27+,28-,29+/m1/s1
SMILES COC(=O)[C@@H](O)[C@H]1[C@@]2(C)C[C@]3(OC(C)=O)C4C(O[C@]56CC(=O)O[C@@H](c7ccoc7)[C@]5(C)CC[C@H]([C@]13C)[C@]46O)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya ivorensis Ref.
PlantaeMeliaceaeKhaya senegalensis Ref.
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