Mol:BMCCCC--d004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 13 12 2 0 0 0 0 | + | 13 12 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 17 16 2 0 0 0 0 | + | 17 16 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 11 21 2 0 0 0 0 | + | 11 21 2 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCCC--d004 | + | ID BMCCCC--d004 |
| − | NAME 2,6-Dichloro-phenol-4-(p-benzoquinone imine) | + | NAME 2,6-Dichloro-phenol-4-(p-benzoquinone imine) |
| − | FORMULA C16H11Cl2NO2 | + | FORMULA C16H11Cl2NO2 |
| − | EXACTMASS 319.0166 | + | EXACTMASS 319.0166 |
| − | AVERAGEMASS 320.1694 | + | AVERAGEMASS 320.1694 |
| − | SMILES O=C(C2)c(c3)c(ccc3)C(C2)=Nc(c1)cc(Cl)c(O)c(Cl)1 | + | SMILES O=C(C2)c(c3)c(ccc3)C(C2)=Nc(c1)cc(Cl)c(O)c(Cl)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01285 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01285 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14 15 2 0 0 0 0
14 13 1 0 0 0 0
13 12 2 0 0 0 0
12 17 1 0 0 0 0
16 15 1 0 0 0 0
17 16 2 0 0 0 0
17 11 1 0 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 16 1 0 0 0 0
8 7 2 0 0 0 0
11 21 2 0 0 0 0
2 1 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
6 20 1 0 0 0 0
2 19 1 0 0 0 0
1 18 1 0 0 0 0
4 7 1 0 0 0 0
S SKP 7
ID BMCCCC--d004
NAME 2,6-Dichloro-phenol-4-(p-benzoquinone imine)
FORMULA C16H11Cl2NO2
EXACTMASS 319.0166
AVERAGEMASS 320.1694
SMILES O=C(C2)c(c3)c(ccc3)C(C2)=Nc(c1)cc(Cl)c(O)c(Cl)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01285
M END
