input word = C00040781

Metabolite InformationStructural formula
Name 1-Cinnamoyl-3-acetyl-11-hydroxymeliacarpin
(+)-1-Cinnamoyl-3-acetyl-11-hydroxymeliacarpin
Formula C38H44O14
Mw 724.27310612
CAS RN 227451-22-1
C_ID C00040781 ,
InChIKey KNVLLSFFGRMTCL-XYMNCPFHNA-N
InChICode InChI=1S/C38H44O14/c1-19(39)49-22-16-23(50-25(40)12-11-20-9-7-6-8-10-20)35-18-48-37(44,30(42)45-5)29(35)33(3,28(41)26-27(35)32(22,2)17-47-26)38-24-15-21(34(38,4)52-38)36(43)13-14-46-31(36)51-24/h6-14,21-24,26-29,31,41,43-44H,15-18H2,1-5H3/b12-11+/t21-,22-,23+,24-,26-,27+,28-,29+,31+,32-,33-,34+,35+,36-,37+,38+/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)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