Mol:BMMCBZ3Sk042
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 0 0 0 0 0 0999 V2000
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
7 9 1 0 0 0 0
7 10 2 0 0 0 0
1 7 1 0 0 0 0
2 11 1 0 0 0 0
6 8 1 0 0 0 0
S SKP 7
ID BMMCBZ3Sk042
NAME 6-Methyl-salicylic acid
FORMULA C8H8O3
EXACTMASS 152.0473
AVERAGEMASS 152.1473
SMILES Cc(c1)c(C(O)=O)c(O)cc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02657
M END
</pre>
