Mol:BMCCCC--h016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 32  0  0  0  0  0  0  0  0999 V2000 
    8.7350   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029    1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    6.1369    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4049    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4049   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1369   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    7.0029    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2709    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2709    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1369   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1399   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5521   -1.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5521    0.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5878    1.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5878   -0.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4049   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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 15  6  1  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 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 23  1  0  0  0  0 
 23  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 26  1  0  0  0  0 
 26 20  1  0  0  0  0 
 20 25  1  0  0  0  0 
 25  8  1  0  0  0  0 
 11 17  2  0  0  0  0 
  5 21  1  0  0  0  0 
 10 27  1  0  0  0  0 
 16 10  2  0  0  0  0 
 27 22  1  0  0  0  0 
S  SKP  7 
ID	BMCCCC--h016 
NAME	Chelirubine 
FORMULA	C21H16NO5 
EXACTMASS	362.1028 
AVERAGEMASS	362.3554 
SMILES	c(O6)(c(OC6)5)cc(c4c5)ccc(c43)c(c(c[n+1]3C)1)c(OC)c(O2)c(OC2)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06327 
M  END