Mol:BMFYS3CAn012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 8 7 0 0 0 0 0 0 0 0999 V2000 | + | 8 7 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYS3CAn012 | + | ID BMFYS3CAn012 |
| − | NAME 3-Nitro-propanoic acid | + | NAME 3-Nitro-propanoic acid |
| − | FORMULA C3H5NO4 | + | FORMULA C3H5NO4 |
| − | EXACTMASS 119.0218 | + | EXACTMASS 119.0218 |
| − | AVERAGEMASS 119.0761 | + | AVERAGEMASS 119.0761 |
| − | SMILES OC(=O)CC[N+1]([O-1])=O | + | SMILES OC(=O)CC[N+1]([O-1])=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02516 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02516 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
8 7 0 0 0 0 0 0 0 0999 V2000
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
1 5 1 0 0 0 0
1 6 2 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
4 7 1 0 0 0 0
4 8 2 0 0 0 0
S SKP 7
ID BMFYS3CAn012
NAME 3-Nitro-propanoic acid
FORMULA C3H5NO4
EXACTMASS 119.0218
AVERAGEMASS 119.0761
SMILES OC(=O)CC[N+1]([O-1])=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02516
M END
