Mol:BMMCBZ1Sk048
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 0 0 0 0 0 0999 V2000
6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 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
3.7321 -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
2.0000 -0.0000 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
2.8660 1.5000 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
6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 9 2 0 0 0 0
9 8 1 0 0 0 0
4 3 1 0 0 0 0
8 7 2 0 0 0 0
3 2 1 0 0 0 0
7 6 1 0 0 0 0
2 1 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
1 10 1 0 0 0 0
1 11 2 0 0 0 0
S SKP 7
ID BMMCBZ1Sk048
NAME Phenyl-propanoic acid
FORMULA C9H10O2
EXACTMASS 150.068
AVERAGEMASS 150.1745
SMILES OC(=O)CCc(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05629
M END
</pre>
