input word = C00041057

Metabolite InformationStructural formula
Name Methyl 3beta-acetoxy-6-hydroxy-1-oxomeliac-14-enoate
(-)-Methyl 3beta-acetoxy-6-hydroxy-1-oxomeliac-14-enoate
Formula C29H36O9
Mw 528.23593275
CAS RN 52557-61-6
C_ID C00041057 ,
InChIKey MVOCELQNDZHLNJ-XAPTURSRNA-N
InChICode InChI=1S/C29H36O9/c1-14(30)37-25-17-11-16-18(29(5,23(17)33)22(27(25,2)3)21(32)26(34)35-6)7-9-28(4)19(16)12-20(31)38-24(28)15-8-10-36-13-15/h8,10,12-13,16-18,21-22,24-25,32H,7,9,11H2,1-6H3/t16-,17-,18+,21-,22+,24+,25-,28-,29-/m1/s1
SMILES COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(C)=O)[C@@H]2C[C@H]3C4=CC(=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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