Mol:BMMCIZ--l002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 11 0 0 1 0 0 0 0 0999 V2000 | + | 11 11 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.2601 -0.4964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2601 -0.4964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -2.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 -2.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5691 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2601 -0.4964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.2601 -0.4964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 0.3126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 0.3126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4411 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4411 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4466 1.3307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4466 1.3307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5201 -1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5201 -1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0289 2.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0289 2.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 5 6 1 6 0 0 0 | + | 5 6 1 6 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 4 10 2 0 0 0 0 | + | 4 10 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCIZ--l002 | + | ID BMMCIZ--l002 |
| − | NAME (S)(+)-Allantoin | + | NAME (S)(+)-Allantoin |
| − | FORMULA C4H6N4O3 | + | FORMULA C4H6N4O3 |
| − | EXACTMASS 158.0439 | + | EXACTMASS 158.0439 |
| − | AVERAGEMASS 158.1156 | + | AVERAGEMASS 158.1156 |
| − | SMILES NC(=O)N[C@@H](N1)C(=O)NC(=O)1 | + | SMILES NC(=O)N[C@@H](N1)C(=O)NC(=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02350 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02350 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 1 0 0 0 0 0999 V2000
3.2601 -0.4964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 -0.4964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8479 0.3126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4411 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4466 1.3307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 -1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0289 2.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
4 3 1 0 0 0 0
5 6 1 6 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 11 2 0 0 0 0
2 9 2 0 0 0 0
4 10 2 0 0 0 0
S SKP 7
ID BMMCIZ--l002
NAME (S)(+)-Allantoin
FORMULA C4H6N4O3
EXACTMASS 158.0439
AVERAGEMASS 158.1156
SMILES NC(=O)N[C@@H](N1)C(=O)NC(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02350
M END
