CDK    9/10/12,15:50

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.0708   -1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -2.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532   -2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532   -1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847   -2.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671   -2.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0733   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0733   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -4.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7913   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0763   -6.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6406   -5.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6374   -4.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0689   -0.7729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978   -0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7797   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002    0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9268   -0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0 
 11 12  2  0  0  0  0 
  5  6  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
  2  7  2  0  0  0  0 
 14 15  1  0  0  0  0 
  1  2  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  4  8  2  0  0  0  0 
  5 17  1  0  0  0  0 
  1  6  1  0  0  0  0 
 17 18  1  0  0  0  0 
  3  9  1  0  0  0  0 
 18 19  1  0  0  0  0 
  2  3  1  0  0  0  0 
 18 20  2  0  0  0  0 
  9 10  1  0  0  0  0 
 19 21  1  0  0  0  0 
  3  4  1  0  0  0  0 
 19 22  1  0  0  0  0 
 10 11  1  0  0  0  0 
 21 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:68121

> <NAME>
Julocrotine

> <DEFINITION>
A natural product found in Julocroton montevidensis and Croton pullei var. glabrior. 

> <STAR>
2

> <SYNONYM>
N-[2,6-Dioxo-1-(2-phenylethyl)-3-piperidinyl]-2-methylbutanamide

> <FORMULA>
C18H24N2O3

> <MASS>
316.39480

> <MONOISOTOPIC_MASS>
316.17869

> <CHARGE>
0

> <SMILES>
CCC(C)C(=O)NC1CCC(=O)N(CCc2ccccc2)C1=O

> <INCHI>
InChI=1S/C18H24N2O3/c1-3-13(2)17(22)19-15-9-10-16(21)20(18(15)23)12-11-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,19,22)

> <INCHIKEY>
ASALPLLZVFIFMF-UHFFFAOYSA-N

> <PUBMED_CITATION>
21545108

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