Mol:BMMCPD--q031
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000
3.7321 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 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 0 0 0 0 0 0 0 0 0 0
2.0000 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 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 6 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 8 1 0 0 0 0
3 10 1 0 0 0 0
2 7 1 0 0 0 0
5 9 1 0 0 0 0
9 12 1 0 0 0 0
8 11 1 0 0 0 0
S SKP 7
ID BMMCPD--q031
NAME Pyridoxine
FORMULA C8H11NO3
EXACTMASS 169.0738
AVERAGEMASS 169.1778
SMILES OCc(c1)c(CO)c(O)c(C)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00314
M END
</pre>
