Mol:BMMCPD--q031
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 0 0 0 0 0 0999 V2000 | + | 12 12 0 0 0 0 0 0 0 0999 V2000 |
| − | 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 |
| − | 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 |
| − | 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 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 | + | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 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 |
| − | 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 |
| − | 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 3 10 1 0 0 0 0 | + | 3 10 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPD--q031 | + | ID BMMCPD--q031 |
| − | NAME Pyridoxine | + | NAME Pyridoxine |
| − | FORMULA C8H11NO3 | + | FORMULA C8H11NO3 |
| − | EXACTMASS 169.0738 | + | EXACTMASS 169.0738 |
| − | AVERAGEMASS 169.1778 | + | AVERAGEMASS 169.1778 |
| − | SMILES OCc(c1)c(CO)c(O)c(C)n1 | + | SMILES OCc(c1)c(CO)c(O)c(C)n1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00314 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00314 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000
3.7321 1.7500 0.0000 N 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 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
4.5981 0.2500 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
2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 6 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 8 1 0 0 0 0
3 10 1 0 0 0 0
2 7 1 0 0 0 0
5 9 1 0 0 0 0
9 12 1 0 0 0 0
8 11 1 0 0 0 0
S SKP 7
ID BMMCPD--q031
NAME Pyridoxine
FORMULA C8H11NO3
EXACTMASS 169.0738
AVERAGEMASS 169.1778
SMILES OCc(c1)c(CO)c(O)c(C)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00314
M END
