Mrv0541 11071309482D          

 18 18  0  0  0  0            999 V2000
    2.9730   -1.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7797   -1.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.6772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618   -0.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5811   -0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2956   -0.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5811    0.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2956   -1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0100   -0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7246   -0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0100    0.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4390   -0.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1535   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8679   -0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5825   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2970   -0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0115   -0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  9  1  0  0  0  0
  4  5  2  0  0  0  0
  7 10  1  0  0  0  0
  5  1  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 10 12  2  0  0  0  0
  3  6  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6  7  1  0  0  0  0
 14 15  1  0  0  0  0
  2  3  1  0  0  0  0
 15 16  1  0  0  0  0
  6  8  2  0  0  0  0
 16 17  2  0  0  0  0
  3  4  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:70401

> <NAME>
(E)-1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione

> <DEFINITION>
A member of the class of  pyrroles that is 2,3-dihydro-1H-pyrrole substituted by a 9-methyl-8,10-dioxodec-2-en-10-yl group at the nitrogen atom. Isolated from Penicillium citrinum and Penicillium brevicompactum, it exhibits antifungal activity.

> <STAR>
3

> <IUPAC_NAME>
(8E)-1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione

> <FORMULA>
C15H23NO2

> <MASS>
249.34860

> <MONOISOTOPIC_MASS>
249.17288

> <CHARGE>
0

> <SMILES>
C\C=C\CCCCC(=O)C(C)C(=O)N1CCC=C1

> <INCHI>
InChI=1S/C15H23NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h3-4,8,11,13H,5-7,9-10,12H2,1-2H3/b4-3+

> <INCHIKEY>
JGNMZTXDOHXIJQ-ONEGZZNKSA-N

> <REAXYS_REGISTRY_NUMBER>
8060218

> <PUBMED_CITATION>
21053938

$$$$