Mol:BMMCPYCT0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 1 0 0 0 0 0999 V2000
7.2469 -1.3757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3809 -1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3809 -2.8757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2469 -3.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1129 -2.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1129 -1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5149 -1.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2469 -4.3757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2469 -0.3757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0559 0.2121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7469 1.1632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7469 1.1632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1591 1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0559 0.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3347 1.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4379 0.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 1.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 2.6767 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.7678 2.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3858 3.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 3.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 3.3812 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.0991 2.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8900 4.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17 18 1 0 0 0 0
21 22 1 0 0 0 0
18 20 2 0 0 0 0
22 23 1 0 0 0 0
18 19 1 0 0 0 0
22 24 2 0 0 0 0
18 21 1 0 0 0 0
22 25 1 0 0 0 0
12 16 1 6 0 0 0
9 16 1 6 0 0 0
11 15 1 1 0 0 0
12 13 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 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
9 1 1 0 0 0 0
10 14 1 1 0 0 0
2 7 2 0 0 0 0
4 8 1 0 0 0 0
11 10 1 0 0 0 0
11 12 1 0 0 0 0
10 9 1 0 0 0 0
13 17 1 0 0 0 0
S SKP 7
ID BMMCPYCT0008
NAME CDP
FORMULA C9H15N3O11P2
EXACTMASS 403.0181
AVERAGEMASS 403.1765
SMILES NC(C=2)=NC(=O)N(C2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00112
M END
