input word = C00058317

Metabolite InformationStructural formula
Name 1-acetyl-3-tigloyl-11-methoxymeliacarpinin
Formula C35H46O14
Mw 690.28875618
CAS RN 168003-82-5
C_ID C00058317
InChIKey BLAIECFCUANTLG-VMBNEGJRSA-N
InChICode InChI=1S/C35H46O14/c1-9-16(2)25(37)47-19-13-20(46-17(3)36)32-15-45-34(42-8,27(38)41-7)26(32)30(5)24(22-23(32)29(19,4)14-44-22)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@]23CO[C@](OC)(C(=O)OC)[C@H]2[C@@]2(C)[C@H](O[C@]4(C)[C@H]5C[C@H](O[C@@H]6OC=C[C@@]65O)[C@]24O)[C@@H]2OC[C@@]1(C)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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