Mol:BMCCID--k016

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BMCCID--k016.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 17  0  0  1  0  0  0  0  0999 V2000 
    4.5743    2.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9865    1.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5743    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3914    0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2574    0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2574    1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3914    2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5254    1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5254    0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2653   -0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2872   -0.6369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.9781   -1.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1235    2.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6180    0.1063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6473   -2.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  8  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  9  3  1  0  0  0  0 
  4  5  1  0  0  0  0 
  6 13  1  0  0  0  0 
  3 10  1  0  0  0  0 
  5  6  2  0  0  0  0 
 10 11  1  0  0  0  0 
  6  7  1  0  0  0  0 
 11 12  1  0  0  0  0 
  7  8  2  0  0  0  0 
 11 14  1  4  0  0  0 
  9  4  2  0  0  0  0 
  9  8  1  0  0  0  0 
 12 15  1  0  0  0  0 
 12 16  2  0  0  0  0 
S  SKP  7 
ID	BMCCID--k016 
NAME	2-Hydroxy-3- (6-hydroxy-1H-indol-3-yl) propanoic acid 
CAS_RN	 958732-01-9 
FORMULA	C11H11NO4 
EXACTMASS	221.0688 
AVERAGEMASS	221.2093 
SMILES	Oc(c2)cc(n1)c(c2)c(c1)CC(O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05657 
M  END
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