input word = C00039740

Metabolite InformationStructural formula
Name Meliacarpinin A
1-Cinnamoyl-3-acetyl-11-methoxymeliacarpinin
Formula C39H46O14
Mw 738.28875618
CAS RN 155173-62-9
C_ID C00039740 ,
InChIKey DXADLTAZYMMMNI-IOUIAWFCNA-N
InChICode InChI=1S/C39H46O14/c1-20(40)50-23-17-24(51-26(41)13-12-21-10-8-7-9-11-21)36-19-49-38(46-6,31(42)45-5)30(36)34(3)29(27-28(36)33(23,2)18-48-27)53-35(4)22-16-25(39(34,35)44)52-32-37(22,43)14-15-47-32/h7-15,22-25,27-30,32,43-44H,16-19H2,1-6H3/b13-12+/t22-,23-,24+,25+,27-,28+,29-,30+,32-,33-,34-,35-,36+,37-,38+,39+/m1/s1
SMILES C1[C@H]([C@@]2([C@H]3[C@]4([C@H]1OC(=O)/C=C/c1ccccc1)[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.
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