Mol:BMMCHC--k015

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BMMCHC--k015.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5878    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611   -0.9384    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    0.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810   -0.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  2  0  0  0  0
  5  4  2  0  0  0  0
  4  3  1  0  0  0  0
  3  7  1  0  0  0  0
  6  5  1  0  0  0  0
  4  2  1  0  0  0  0
  2  1  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
S  SKP  7
ID	BMMCHC--k015
NAME	2-Thiophene-acetic acid
FORMULA	C6H6O2S
EXACTMASS	142.0088
AVERAGEMASS	142.1766
SMILES	OC(=O)Cc(c1)scc1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02595
M  END

</pre>

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