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 C1[C@H]([C@@]2([C@H]3[C@]4([C@H]1OC(=O)/C(=C/C)/C)[C@H]([C@]1([C@@H]([C@@H]3OC2)O[C@]2([C@@]1([C@H]1O[C@@H]3[C@]([C@@H]2C1)(C=CO3)O)O)C)C)[C@](OC4)(C(=O)OC)OC)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia toosendan Ref.
zoom in