Mol:BMACIZANr002

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BMACIZANr002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 12 12  0  0  1  0  0  0  0  0999 V2000
    2.3090    1.3416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.1973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6180    0.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1180   -0.4755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1180   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6180   -1.3416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6180   -1.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6180    0.3905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  5  4  2  0  0  0  0
  4  3  1  0  0  0  0
  3  2  1  0  0  0  0
  1  5  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  1  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  7  8  1  0  0  0  0
S  SKP  7
ID	BMACIZANr002
NAME	N(pai)-Methyl-L-histidine
FORMULA	C7H11N3O2
EXACTMASS	169.0851
AVERAGEMASS	169.1812
SMILES	N[C@@H](Cc(c1)n(C)cn1)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01152
M  END

</pre>

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