Mol:BMAXDP--0013

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BMAXDP--0013.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 14 13  0  0  1  0  0  0  0  0999 V2000
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  1  0  0  0
  2  1  1  0  0  0  0
  1 13  1  0  0  0  0
  1 12  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  6  0  0  0
  9 11  1  0  0  0  0
S  SKP  6
ID	BMAXDP--0013
NAME	L-Cysteinyl-D-valine
FORMULA	C8H16N2O3S
EXACTMASS	220.0881
AVERAGEMASS	220.2903
SMILES	CC(C)[C@H](C(O)=O)NC(=O)[C@@H](N)CS
M  END

</pre>

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