Mol:BMMCPD--m018
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
15 16 0 0 0 0 0 0 0 0999 V2000
-1.8010 0.3713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8010 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0865 -0.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3720 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3720 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0865 0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5155 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 -0.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0865 0.4537 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
1.0865 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8010 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5155 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5155 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8010 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
2 7 1 0 0 0 0
4 8 1 0 0 0 0
5 9 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
9 10 1 0 0 0 0
S SKP 7
ID BMMCPD--m018
NAME Hetero-pyrithiamine
FORMULA C11H13N4
EXACTMASS 201.114
AVERAGEMASS 201.2478
SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02691
M END
</pre>
