Mol:BMMCIZ--k025
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 10 10 0 0 0 0 0 0 0 0999 V2000 | + | 10 10 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.3090 2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3090 2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3090 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3090 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6180 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6750 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6750 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6750 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6750 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5411 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5411 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCIZ--k025 | + | ID BMMCIZ--k025 |
| − | NAME Urocanic acid | + | NAME Urocanic acid |
| − | FORMULA C6H6N2O2 | + | FORMULA C6H6N2O2 |
| − | EXACTMASS 138.0429 | + | EXACTMASS 138.0429 |
| − | AVERAGEMASS 138.1241 | + | AVERAGEMASS 138.1241 |
| − | SMILES OC(=O)C=Cc(c1)ncn1 | + | SMILES OC(=O)C=Cc(c1)ncn1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00785 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00785 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
10 10 0 0 0 0 0 0 0 0999 V2000
3.3090 2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
5 1 1 0 0 0 0
1 2 1 0 0 0 0
3 4 1 0 0 0 0
4 6 1 0 0 0 0
6 7 2 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
7 8 1 0 0 0 0
S SKP 7
ID BMMCIZ--k025
NAME Urocanic acid
FORMULA C6H6N2O2
EXACTMASS 138.0429
AVERAGEMASS 138.1241
SMILES OC(=O)C=Cc(c1)ncn1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00785
M END
