Mol:BMCCID--l017

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Copyright: ARM project http://www.metabolome.jp/
 18 19  0  0  0  0  0  0  0  0999 V2000
    7.6740    1.6328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6794    1.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2727    0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0158   -0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819   -1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479   -0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0158    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2946    0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254    1.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    1.1511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781    1.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0158   -2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819   -2.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6139   -1.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
  9  4  1  0  0  0  0
  8  7  1  0  0  0  0
  8  1  1  0  0  0  0
  3  2  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  2  0  0  0  0
 10 11  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
  1  2  1  0  0  0  0
  5  6  1  0  0  0  0
S  SKP  7
ID	BMCCID--l017
NAME	6-Hydroxy-melatonin
FORMULA	C13H16N2O3
EXACTMASS	248.116
AVERAGEMASS	248.2778
SMILES	COc(c1)c(O)cc(n2)c1c(CCNC(C)=O)c2
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05643
M  END

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