Mol:BMMCPYCT0005
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 1 0 0 0 0 0999 V2000
4.0823 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -4.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8913 0.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8913 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7634 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.6769 3.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8498 2.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3566 4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
18 15 1 0 0 0 0
12 16 1 6 0 0 0
11 12 1 0 0 0 0
9 16 1 6 0 0 0
11 10 1 0 0 0 0
9 10 1 0 0 0 0
12 13 1 0 0 0 0
10 14 1 1 0 0 0
9 1 1 0 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 2 0 0 0 0
2 7 2 0 0 0 0
4 8 1 0 0 0 0
21 18 1 0 0 0 0
13 17 1 0 0 0 0
11 15 1 1 0 0 0
S SKP 7
ID BMMCPYCT0005
NAME 3'-CMP
FORMULA C9H14N3O8P
EXACTMASS 323.0518
AVERAGEMASS 323.1966
SMILES OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05822
M END
</pre>
