Mol:BMACIDCAm001

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Copyright: ARM project http://www.metabolome.jp/
 18 18  0  0  1  0  0  0  0  0999 V2000
    2.3090    0.8820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.6568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.2911    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0554    0.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431    1.0342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9814   -0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9595   -0.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6286   -0.9873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6068   -0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3196   -1.9384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8475    1.9384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    0.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9158    0.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2759   -1.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  9  1  6  0  0  0
  7  8  1  0  0  0  0
  8 16  2  0  0  0  0
  7  6  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  2  0  0  0  0
  3  2  1  0  0  0  0
  5  1  1  0  0  0  0
  2  1  2  0  0  0  0
  6  4  1  0  0  0  0
  8 15  1  0  0  0  0
  7 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  4  0  0  0
S  SKP  7
ID	BMACIDCAm001
NAME	2-(3-Carboxy-3-amino-propyl)-L-histidine
FORMULA	C10H16N4O4
EXACTMASS	256.1171
AVERAGEMASS	256.2586
SMILES	OC(=O)C(N)CC[C@](N)(C(O)=O)Cc(c1)ncn1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04441
M  END

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