input word = C00039834

Metabolite InformationStructural formula
Name Neobeguin
(-)-Neobeguin
Formula C37H46O14
Mw 714.28875618
CAS RN 260794-07-8
C_ID C00039834 ,
InChIKey KSKYWUDAKIJEBA-GVQWEOLDNA-N
InChICode InChI=1S/C37H46O14/c1-17(2)24(41)23-25-30(5,26(48-27(23)42)20-10-13-45-15-20)11-12-34-32(7)21(14-22(40)44-9)31(6)16-35(32)36(43,28(31)46-18(3)38)29(47-19(4)39)37(25,34)51-33(8,49-34)50-35/h10,13,15,17,21,25-26,28-29,41,43H,11-12,14,16H2,1-9H3/b24-23-/t21-,25+,26-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37+/m0/s1
SMILES COC(=O)C[C@H]1[C@@]2(C)C[C@]34O[C@@]5(C)O[C@@]6(CC[C@]7(C)[C@@H](/C(=C(/O)C(C)C)C(=O)O[C@H]7c7ccoc7)[C@@]6(O5)C(OC(C)=O)[C@@]3(O)[C@H]2OC(C)=O)[C@]14C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeNeobeguea mahafalensis Ref.
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