Mol:BMXXSX--n001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 6 5 0 0 0 0 0 0 0 0999 V2000 | + | 6 5 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 2 4 1 0 0 0 0 | + | 2 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 4 6 2 0 0 0 0 | + | 4 6 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMXXSX--n001 | + | ID BMXXSX--n001 |
| − | NAME 2-Nitropropane | + | NAME 2-Nitropropane |
| − | FORMULA C3H7NO2 | + | FORMULA C3H7NO2 |
| − | EXACTMASS 89.0476 | + | EXACTMASS 89.0476 |
| − | AVERAGEMASS 89.0932 | + | AVERAGEMASS 89.0932 |
| − | SMILES CC(C)[N+1]([O-1])=O | + | SMILES CC(C)[N+1]([O-1])=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02116 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02116 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
6 5 0 0 0 0 0 0 0 0999 V2000
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 2 0 0 0 0
S SKP 7
ID BMXXSX--n001
NAME 2-Nitropropane
FORMULA C3H7NO2
EXACTMASS 89.0476
AVERAGEMASS 89.0932
SMILES CC(C)[N+1]([O-1])=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02116
M END
