Mol:KOX00002
From Metabolomics.JP
(Difference between revisions)
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| − | ISISHOST03240423022D 1 1.00000 0.00000 326 | + | ISISHOST03240423022D 1 1.00000 0.00000 326 |
| − | + | ||
| − | 7 6 0 0 0 999 V2000 | + | 7 6 0 0 0 999 V2000 |
| − | 0.1862 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 0.1862 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 0.8345 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 0.8345 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.4621 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -0.4621 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 1.4828 -0.3241 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 1.4828 -0.3241 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 0.8345 0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 0.8345 0.8034 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | -1.1138 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.1138 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.7621 0.0552 0.0000 N 0 0 0 0 0 0 0 0 0 | + | -1.7621 0.0552 0.0000 N 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 | + | 1 2 1 0 0 0 |
| − | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
| − | 2 4 1 0 0 0 | + | 2 4 1 0 0 0 |
| − | 2 5 2 0 0 0 | + | 2 5 2 0 0 0 |
| − | 3 6 1 0 0 0 | + | 3 6 1 0 0 0 |
| − | 6 7 1 0 0 0 | + | 6 7 1 0 0 0 |
| + | S SKP 5 | ||
| + | ID KOX00002 | ||
| + | FORMULA C4H9NO2 | ||
| + | EXACTMASS 103.06332853699999 | ||
| + | AVERAGEMASS 103.11980000000001 | ||
| + | SMILES NCCCC(O)=O | ||
M END | M END | ||
Latest revision as of 11:40, 9 September 2012
ISISHOST03240423022D 1 1.00000 0.00000 326
7 6 0 0 0 999 V2000
0.1862 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0
0.8345 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0
-0.4621 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0
1.4828 -0.3241 0.0000 O 0 0 0 0 0 0 0 0 0
0.8345 0.8034 0.0000 O 0 0 0 0 0 0 0 0 0
-1.1138 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0
-1.7621 0.0552 0.0000 N 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 1 0 0 0
2 4 1 0 0 0
2 5 2 0 0 0
3 6 1 0 0 0
6 7 1 0 0 0
S SKP 5
ID KOX00002
FORMULA C4H9NO2
EXACTMASS 103.06332853699999
AVERAGEMASS 103.11980000000001
SMILES NCCCC(O)=O
M END
