Mol:BMCCCC--h027

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Copyright: ARM project http://www.metabolome.jp/
 29 34  0  0  0  0  0  0  0  0999 V2000
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    8.7350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0029    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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 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

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