input word = C00033188

Metabolite InformationStructural formula
Name Meliacarpinin D
(-)-Meliacarpinin D
Formula C35H46O14
Mw 690.28875618
CAS RN 168003-81-4
C_ID C00033188 ,
InChIKey WGAIUYKEUVAWRD-YJLLAKLNNA-N
InChICode InChI=1S/C35H46O14/c1-9-16(2)25(37)47-20-13-19(46-17(3)36)29(4)14-44-22-23(29)32(20)15-45-34(42-8,27(38)41-7)26(32)30(5)24(22)49-31(6)18-12-21(35(30,31)40)48-28-33(18,39)10-11-43-28/h9-11,18-24,26,28,39-40H,12-15H2,1-8H3/b16-9+/t18-,19-,20+,21+,22-,23+,24-,26+,28-,29-,30-,31-,32?,33-,34+,35+/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]2C12CO[C@](OC)(C(=O)OC)[C@H]2[C@@]1(C)[C@@H]3O[C@]2(C)[C@H]3C[C@H](O[C@@H]4OC=C[C@@]43O)[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia toosendan Ref.
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