Mol:BMCCCC--h027

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 34  0  0  0  0  0  0  0  0999 V2000 
    8.7350   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6010    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029    2.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    6.1369    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4049    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4049    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1369   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2709    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2709    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1369    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1399    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1369   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5521   -0.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5521    0.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5878    2.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5878    0.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4049   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  5  2  0  0  0  0 
 18 13  1  0  0  0  0 
 13  4  1  0  0  0  0 
  4  3  2  0  0  0  0 
  2  1  2  0  0  0  0 
  1 18  1  0  0  0  0 
  5 14  1  0  0  0  0 
 17 16  1  0  0  0  0 
 10  9  1  0  0  0  0 
  8  7  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3 25  1  0  0  0  0 
 25 19  1  0  0  0  0 
 19 24  1  0  0  0  0 
 24  2  1  0  0  0  0 
  7 15  2  0  0  0  0 
 17 14  1  0  0  0  0 
 14 13  2  0  0  0  0 
 18 12  2  0  0  0  0 
 12 11  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 27  1  0  0  0  0 
 27 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 26  8  1  0  0  0  0 
 11 17  2  0  0  0  0 
  5 21  1  0  0  0  0 
 10 28  1  0  0  0  0 
 16 10  2  0  0  0  0 
 28 22  1  0  0  0  0 
 16 15  1  0  0  0  0 
 12 29  1  0  0  0  0 
 15  6  1  0  0  0  0 
 29 23  1  0  0  0  0 
S  SKP  7 
ID	BMCCCC--h027 
NAME	Macarpine 
FORMULA	C22H18NO6 
EXACTMASS	392.1134 
AVERAGEMASS	392.3814 
SMILES	c(c62)c(c(cc2c(OC)cc(c65)c(c(c[n+1]5C)4)c(OC)c(c3c4)OCO3)1)OCO1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06165 
M  END