Mol:BMACBZHOp003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 16 0 0 1 0 0 0 0 0999 V2000 | + | 16 16 0 0 1 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 7 15 2 0 0 0 0 | + | 7 15 2 0 0 0 0 |
| − | 9 11 1 4 0 0 0 | + | 9 11 1 4 0 0 0 |
| − | 5 16 1 0 0 0 0 | + | 5 16 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 10 13 1 0 0 0 0 | + | 10 13 1 0 0 0 0 |
| − | 10 14 2 0 0 0 0 | + | 10 14 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMACBZHOp003 | + | ID BMACBZHOp003 |
| − | NAME 5-Hydroxy-kynurenine | + | NAME 5-Hydroxy-kynurenine |
| − | FORMULA C10H12N2O4 | + | FORMULA C10H12N2O4 |
| − | EXACTMASS 224.0797 | + | EXACTMASS 224.0797 |
| − | AVERAGEMASS 224.2133 | + | AVERAGEMASS 224.2133 |
| − | SMILES OC(=O)C(N)CC(=O)c(c1)c(N)ccc(O)1 | + | SMILES OC(=O)C(N)CC(=O)c(c1)c(N)ccc(O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05651 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05651 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
4 3 1 0 0 0 0
7 8 1 0 0 0 0
3 2 2 0 0 0 0
8 9 1 0 0 0 0
2 1 1 0 0 0 0
9 10 1 0 0 0 0
1 6 2 0 0 0 0
2 12 1 0 0 0 0
6 5 1 0 0 0 0
7 15 2 0 0 0 0
9 11 1 4 0 0 0
5 16 1 0 0 0 0
5 4 2 0 0 0 0
10 13 1 0 0 0 0
10 14 2 0 0 0 0
S SKP 7
ID BMACBZHOp003
NAME 5-Hydroxy-kynurenine
FORMULA C10H12N2O4
EXACTMASS 224.0797
AVERAGEMASS 224.2133
SMILES OC(=O)C(N)CC(=O)c(c1)c(N)ccc(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05651
M END
