Mol:BMMCAS--p009
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
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Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 1 0 0 0 0 0999 V2000
-1.3604 0.2141 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
-1.3604 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6459 -1.0418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0778 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0778 0.2141 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6459 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7911 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5082 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2056 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2169 1.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4997 1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7897 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6481 1.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0768 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7930 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6482 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7846 -0.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2169 0.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
7 12 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
5 7 1 0 0 0 0
6 13 2 0 0 0 0
2 14 2 0 0 0 0
4 15 2 0 0 0 0
3 16 1 0 0 0 0
5 17 1 4 0 0 0
1 18 2 0 0 0 0
S SKP 7
ID BMMCAS--p009
NAME 3-Oxo-hexobarbital
FORMULA C12H15N2O4
EXACTMASS 251.1031
AVERAGEMASS 251.2585
SMILES C(C2)CC=C(C2)C(C)(C(=O)1)C(=O)[N+1](=O)C(=O)N(C)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02517
M END
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