Mol:BMCCPTFLq001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
8.0622 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 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 9 2 0 0 0 0
10 4 1 0 0 0 0
9 10 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
5 10 2 0 0 0 0
4 18 2 0 0 0 0
2 19 2 0 0 0 0
6 11 1 4 0 0 0
7 12 1 4 0 0 0
8 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 20 1 0 0 0 0
14 21 1 1 0 0 0
15 22 1 6 0 0 0
16 23 1 1 0 0 0
S SKP 7
ID BMCCPTFLq001
NAME 6,7-Dimethyl-8-(1-D-ribityl)-lumazine
FORMULA C13H20N4O6
EXACTMASS 328.1382
AVERAGEMASS 328.3212
SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)CN(C(C)2)C(=N1)C(=NC(C)2)C(=O)NC(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04332
M END
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