Mol:BMMCAS--p009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 19 0 0 1 0 0 0 0 0999 V2000 | + | 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 0.2141 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 | + | -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 | + | -0.6459 -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 -0.6201 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 | + | 0.0778 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 | + | -0.6459 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 | + | 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 | + | 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 | + | 2.2056 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 | + | 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 | + | 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 | + | 0.7897 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 | + | -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 | + | -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 | + | 0.7930 -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 | + | -0.6482 -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 | + | 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 | + | -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 6 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 6 13 2 0 0 0 0 | + | 6 13 2 0 0 0 0 |
| − | 2 14 2 0 0 0 0 | + | 2 14 2 0 0 0 0 |
| − | 4 15 2 0 0 0 0 | + | 4 15 2 0 0 0 0 |
| − | 3 16 1 0 0 0 0 | + | 3 16 1 0 0 0 0 |
| − | 5 17 1 4 0 0 0 | + | 5 17 1 4 0 0 0 |
| − | 1 18 2 0 0 0 0 | + | 1 18 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCAS--p009 | + | ID BMMCAS--p009 |
| − | NAME 3- | + | NAME 5-Cyclohexen-1-yl- 1,5-dimethyl-3-oxo- 1,3-diazinan-3-ium-2,4,6-trione |
| − | FORMULA C12H15N2O4 | + | CAS_RN 4958-19-4 |
| − | EXACTMASS 251.1031 | + | FORMULA C12H15N2O4 |
| − | AVERAGEMASS 251.2585 | + | EXACTMASS 251.1031 |
| − | SMILES C(C2)CC=C(C2)C(C)(C(=O)1)C(=O)[N+1](=O)C(=O)N(C)1 | + | AVERAGEMASS 251.2585 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02517 | + | 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 | M END | ||
| − | |||
Latest revision as of 15:30, 17 June 2010
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 5-Cyclohexen-1-yl- 1,5-dimethyl-3-oxo- 1,3-diazinan-3-ium-2,4,6-trione
CAS_RN 4958-19-4
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
