input word = C00040782

Metabolite InformationStructural formula
Name 1-Cinnamoyl-3-methacrylyl-11-hydroxymeliacarpin
Formula C40H46O14
Mw 750.28875618
CAS RN 227451-21-0
C_ID C00040782 ,
InChIKey QKEYTEVNACWRPS-QEWUSAHWNA-N
InChICode InChI=1S/C40H46O14/c1-20(2)30(43)52-23-17-24(51-26(41)13-12-21-10-8-7-9-11-21)37-19-50-39(46,32(44)47-6)31(37)35(4,29(42)27-28(37)34(23,3)18-49-27)40-25-16-22(36(40,5)54-40)38(45)14-15-48-33(38)53-25/h7-15,22-25,27-29,31,33,42,45-46H,1,16-19H2,2-6H3/b13-12+/t22-,23-,24+,25?,27-,28+,29-,31+,33+,34-,35-,36+,37?,38-,39+,40+/m1/s1
SMILES [C@H]1([C@H]2[C@@H]3[C@@]4([C@H]([C@@]1([C@]15[C@@]([C@@H]6[C@]7([C@H](O[C@@H]1C6)OC=C7)O)(C)O5)C)[C@](OC4)(C(=O)OC)O)[C@H](C[C@H]([C@]3(CO2)C)OC(=O)C(=C)C)OC(=O)/C=C/c1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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OrganismMelia azedarach
ReferenceBohnenstengel,Phytochem.,50,(1999),977