Mol:BMMCPYXXk008
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 25 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
8.2331 -0.3407 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
9.0991 -0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2331 0.6593 0.0000 O 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 1 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
7.2881 0.6571 0.0000 O 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
3 4 1 0 0 0 0
3 2 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 9 2 0 0 0 0
2 8 2 0 0 0 0
7 10 1 0 0 0 0
7 11 2 0 0 0 0
6 7 1 0 0 0 0
13 12 1 0 0 0 0
12 19 1 6 0 0 0
15 19 1 6 0 0 0
15 14 1 0 0 0 0
14 13 1 0 0 0 0
15 16 1 0 0 0 0
12 1 1 0 0 0 0
14 18 1 1 0 0 0
13 17 1 1 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 2 0 0 0 0
S SKP 7
ID BMMCPYXXk008
NAME 5'-Orotidylic acid
FORMULA C10H13N2O11P
EXACTMASS 368.0256
AVERAGEMASS 368.1908
SMILES O=C(N2)C=C(C(O)=O)N(C(=O)2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01103
M END
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