Mol:BMMCHC--k015
From Metabolomics.JP
<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>
