Mol:BMXXBX--f004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 15 0 0 0 0 0 0 0 0999 V2000 | + | 16 15 0 0 0 0 0 0 0 0999 V2000 |
| − | 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.2500 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 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 16 14 1 0 0 0 0 | + | 16 14 1 0 0 0 0 |
| − | 14 11 1 0 0 0 0 | + | 14 11 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMXXBX--f004 | + | ID BMXXBX--f004 |
| − | NAME Disulfiram | + | NAME Disulfiram |
| − | FORMULA C10H20N2S4 | + | FORMULA C10H20N2S4 |
| − | EXACTMASS 296.0509 | + | EXACTMASS 296.0509 |
| − | AVERAGEMASS 296.5432 | + | AVERAGEMASS 296.5432 |
| − | SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC | + | SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01692 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01692 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 0 0 0 0 0 0999 V2000
8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 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 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
3 4 1 0 0 0 0
2 1 1 0 0 0 0
4 5 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
8 16 1 0 0 0 0
16 14 1 0 0 0 0
14 11 1 0 0 0 0
14 15 2 0 0 0 0
11 10 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
10 9 1 0 0 0 0
S SKP 7
ID BMXXBX--f004
NAME Disulfiram
FORMULA C10H20N2S4
EXACTMASS 296.0509
AVERAGEMASS 296.5432
SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01692
M END
