Mol:BMCCCC--t019
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 15 0 0 1 0 0 0 0 0999 V2000 | + | 15 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.2601 2.3363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2601 2.3363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 0.7975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 0.7975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 1.3853 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5691 1.3853 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.2601 2.3363 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.2601 2.3363 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.5201 1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5201 1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7281 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7281 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6791 -0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6791 -0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8870 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8870 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8381 -1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8381 -1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0460 -2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0460 -2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 3.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 3.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3029 -3.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3029 -3.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9971 -2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9971 -2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 12 1 4 0 0 0 | + | 5 12 1 4 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 4 3 1 4 0 0 0 | + | 4 3 1 4 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 13 2 0 0 0 0 | + | 2 13 2 0 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 11 14 1 0 0 0 0 | + | 11 14 1 0 0 0 0 |
| − | 11 15 2 0 0 0 0 | + | 11 15 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCCC--t019 | + | ID BMCCCC--t019 |
| − | NAME Dethiobiotin | + | NAME Dethiobiotin |
| − | FORMULA C10H18N2O3 | + | FORMULA C10H18N2O3 |
| − | EXACTMASS 214.1317 | + | EXACTMASS 214.1317 |
| − | AVERAGEMASS 214.2616 | + | AVERAGEMASS 214.2616 |
| − | SMILES OC(=O)CCCCCC(N1)C(C)NC(=O)1 | + | SMILES OC(=O)CCCCCC(N1)C(C)NC(=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01909 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01909 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
3.2601 2.3363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 0.7975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 1.3853 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2601 2.3363 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.5201 1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6791 -0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8870 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8381 -1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0460 -2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 3.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3029 -3.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9971 -2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 12 1 4 0 0 0
5 4 1 0 0 0 0
4 6 1 0 0 0 0
5 1 1 0 0 0 0
4 3 1 4 0 0 0
1 2 1 0 0 0 0
3 2 1 0 0 0 0
2 13 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
11 14 1 0 0 0 0
11 15 2 0 0 0 0
10 11 1 0 0 0 0
S SKP 7
ID BMCCCC--t019
NAME Dethiobiotin
FORMULA C10H18N2O3
EXACTMASS 214.1317
AVERAGEMASS 214.2616
SMILES OC(=O)CCCCCC(N1)C(C)NC(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01909
M END
