Mol:BMMCPYUR0013
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
17 18 0 0 1 0 0 0 0 0999 V2000
3.7321 2.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5686 -0.9365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5468 -1.1444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0468 -0.2784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0468 -0.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8255 -1.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9535 -2.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3776 0.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5468 0.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 16 1 6 0 0 0
12 11 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
9 5 1 0 0 0 0
10 14 1 1 0 0 0
11 15 1 1 0 0 0
1 2 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 1 0 0 0 0
3 2 1 0 0 0 0
2 7 2 0 0 0 0
4 8 2 0 0 0 0
12 13 1 0 0 0 0
13 17 1 0 0 0 0
S SKP 7
ID BMMCPYUR0013
NAME Pseudouridine
FORMULA C9H12N2O6
EXACTMASS 244.0695
AVERAGEMASS 244.2014
SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1C(=C2)C(=O)NC(=O)N2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02067
M END
</pre>
