Mol:BMCCCC--t013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 17 0 0 1 0 0 0 0 0999 V2000 | + | 16 17 0 0 1 0 0 0 0 0999 V2000 |
| − | 7.6302 -2.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6302 -2.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8212 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8212 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0121 -2.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0121 -2.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0121 -0.1858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.0121 -0.1858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.8212 0.4020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8212 0.4020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6302 -0.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6302 -0.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3212 -1.1369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.3212 -1.1369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3212 -1.1369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3212 -1.1369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.0611 0.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0611 0.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8532 1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8532 1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 2.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 2.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 2.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 2.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8212 -3.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8212 -3.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 3.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 3.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 8 3 1 6 0 0 0 | + | 8 3 1 6 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 |
| − | 7 1 1 0 0 0 0 | + | 7 1 1 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 13 16 2 0 0 0 0 | + | 13 16 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 6 1 6 0 0 0 | + | 7 6 1 6 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 4 9 1 6 0 0 0 | + | 4 9 1 6 0 0 0 |
| − | 2 14 2 0 0 0 0 | + | 2 14 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCCC--t013 | + | ID BMCCCC--t013 |
| − | NAME Biotin | + | NAME Biotin |
| − | FORMULA C10H16N2O3S | + | FORMULA C10H16N2O3S |
| − | EXACTMASS 244.0881 | + | EXACTMASS 244.0881 |
| − | AVERAGEMASS 244.3117 | + | AVERAGEMASS 244.3117 |
| − | SMILES OC(=O)CCCC[C@H](S1)[C@@H](N2)[C@@H](NC(=O)2)C1 | + | SMILES OC(=O)CCCC[C@H](S1)[C@@H](N2)[C@@H](NC(=O)2)C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00120 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00120 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 17 0 0 1 0 0 0 0 0999 V2000
7.6302 -2.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8212 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -2.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -0.1858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8212 0.4020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.6302 -0.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3212 -1.1369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3212 -1.1369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0611 0.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 2.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 2.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8212 -3.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 3.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 11 1 0 0 0 0
8 3 1 6 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
7 1 1 0 0 0 0
13 15 1 0 0 0 0
9 10 1 0 0 0 0
13 16 2 0 0 0 0
11 12 1 0 0 0 0
8 7 1 0 0 0 0
7 6 1 6 0 0 0
6 5 1 0 0 0 0
4 5 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 6 0 0 0
2 14 2 0 0 0 0
12 13 1 0 0 0 0
S SKP 7
ID BMCCCC--t013
NAME Biotin
FORMULA C10H16N2O3S
EXACTMASS 244.0881
AVERAGEMASS 244.3117
SMILES OC(=O)CCCC[C@H](S1)[C@@H](N2)[C@@H](NC(=O)2)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00120
M END
