Mol:BMMCPD--g012
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 13 0 0 0 0 0 0 0 0999 V2000 | + | 12 13 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.6092 1.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6092 1.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6092 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6092 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4752 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4752 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4752 1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4752 1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4067 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4067 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4013 -1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4013 -1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3412 -0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3412 -0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3412 1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3412 1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0704 -1.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0704 -1.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 6 11 1 0 0 0 0 | + | 6 11 1 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 9 12 2 0 0 0 0 | + | 9 12 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPD--g012 | + | ID BMMCPD--g012 |
| − | NAME 4-Pyridoxo-lactone | + | NAME 4-Pyridoxo-lactone |
| − | FORMULA C8H7NO3 | + | FORMULA C8H7NO3 |
| − | EXACTMASS 165.0425 | + | EXACTMASS 165.0425 |
| − | AVERAGEMASS 165.1461 | + | AVERAGEMASS 165.1461 |
| − | SMILES Cc(n2)c(O)c(C(=O)1)c(c2)CO1 | + | SMILES Cc(n2)c(O)c(C(=O)1)c(c2)CO1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00971 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00971 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 13 0 0 0 0 0 0 0 0999 V2000
3.6092 1.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3412 -0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3412 1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 -1.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
5 10 1 0 0 0 0
6 11 1 0 0 0 0
4 9 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
9 8 1 0 0 0 0
9 12 2 0 0 0 0
S SKP 7
ID BMMCPD--g012
NAME 4-Pyridoxo-lactone
FORMULA C8H7NO3
EXACTMASS 165.0425
AVERAGEMASS 165.1461
SMILES Cc(n2)c(O)c(C(=O)1)c(c2)CO1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00971
M END
