Mol:BMMCPYTY0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 1 0 0 0 0 0999 V2000
5.4791 -0.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6131 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6131 -2.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3451 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3451 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7471 -0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2112 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 0.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2881 0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3913 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5669 2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 3.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
17 18 1 0 0 0 0
13 16 1 6 0 0 0
10 16 1 6 0 0 0
12 15 1 1 0 0 0
13 14 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
10 1 1 0 0 0 0
2 7 2 0 0 0 0
4 8 2 0 0 0 0
12 11 1 0 0 0 0
12 13 1 0 0 0 0
10 11 1 0 0 0 0
5 9 1 0 0 0 0
14 17 1 0 0 0 0
S SKP 7
ID BMMCPYTY0003
NAME dTMP
FORMULA C10H15N2O8P
EXACTMASS 322.0566
AVERAGEMASS 322.2085
SMILES CC(=C1)C(=O)NC(=O)N1[C@@H](C2)O[C@H](COP(O)(O)=O)[C@@H](O)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00364
M END
</pre>
