Mol:LBF20109SC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 0 0 0 0 0 0999 V2000 | + | 22 21 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.9246 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9246 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5379 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5379 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2529 0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2529 0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5379 1.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5379 1.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3196 0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3196 0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6431 0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6431 0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9914 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9914 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3149 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3149 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3396 0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3396 0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0161 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0161 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6679 0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6679 0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3444 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3444 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9989 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9989 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6204 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6204 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2529 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2529 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2529 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2529 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6204 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6204 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0429 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0429 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3939 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3939 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7683 -0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 -0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1192 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1192 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4936 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4936 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 4 2 0 0 0 0 | + | 2 4 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 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 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20109SC01 | + | ID LBF20109SC01 |
| − | FORMULA C20H38O2 | + | FORMULA C20H38O2 |
| − | EXACTMASS 310.28718046 | + | EXACTMASS 310.28718046 |
| − | AVERAGEMASS 310.51452 | + | AVERAGEMASS 310.51452 |
| − | SMILES C(CCCCC=CCCCCCCCCCC(O)=O)CCC | + | SMILES C(CCCCC=CCCCCCCCCCC(O)=O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
2.9246 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5379 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2529 0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5379 1.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3196 0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6431 0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9914 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3149 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3396 0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0161 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6679 0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3444 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6204 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2529 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2529 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6204 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0429 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3939 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 -0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1192 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4936 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 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
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
14 13 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 16 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20109SC01
FORMULA C20H38O2
EXACTMASS 310.28718046
AVERAGEMASS 310.51452
SMILES C(CCCCC=CCCCCCCCCCC(O)=O)CCC
M END
