input word = C00040753

Metabolite InformationStructural formula
Name 1,3-Dicinnamoyl-11-hydroxymeliacarpin
(+)-1,3-Dicinnamoyl-11-hydroxymeliacarpin
Formula C45H48O14
Mw 812.30440624
CAS RN 227451-20-9
C_ID C00040753 ,
InChIKey PNGKXFPGBYNSCI-HFYRNFISNA-N
InChICode InChI=1S/C45H48O14/c1-39-23-54-33-34(39)42(29(57-32(47)18-16-26-13-9-6-10-14-26)22-28(39)56-31(46)17-15-25-11-7-5-8-12-25)24-55-44(51,37(49)52-4)36(42)40(2,35(33)48)45-30-21-27(41(45,3)59-45)43(50)19-20-53-38(43)58-30/h5-20,27-30,33-36,38,48,50-51H,21-24H2,1-4H3/b17-15+,18-16+/t27-,28-,29+,30+,33-,34+,35-,36+,38+,39-,40-,41+,42-,43-,44+,45+/m1/s1
SMILES [C@H]1([C@H]2[C@@H]3[C@]4([C@H]([C@]1(C)[C@]15[C@]([C@@H]6[C@]7([C@H](O[C@H]1C6)OC=C7)O)(O5)C)[C@](OC4)(C(=O)OC)O)[C@H](C[C@H]([C@]3(CO2)C)OC(=O)/C=C\c1ccccc1)OC(=O)/C=C/c1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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