input word = C00058603

Metabolite InformationStructural formula
Name Melianolide
Formula C35H46O11
Mw 642.30401231
CAS RN 174416-97-8
C_ID C00058603
InChIKey NLXQKOSUAJVFPQ-XWHLQABBSA-N
InChICode InChI=1S/C36H48O11/c1-10-18(2)30(39)46-24-14-23(43-19(3)37)31(5)17-42-27-28(31)33(24,7)22-13-26(44-20(4)38)45-25-15-32(6,21-11-12-41-16-21)35(9)36(25,40)34(22,8)29(27)47-35/h10-12,16,22-29,40H,13-15,17H2,1-9H3/b18-10+/t22-,23-,24+,25+,26-,27-,28+,29-,31-,32+,33+,34+,35-,36+/m1/s1
SMILES C/C=C(C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@]5(C)[C@H](c6ccoc6)C[C@@H]6O[C@@H](OC(C)=O)C[C@H]([C@]1(C)[C@@H]32)[C@]4(C)[C@@]65O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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