Mol:LBF21000BC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 0 0 0 0 0 0999 V2000 | + | 24 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -5.0903 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0903 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6733 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6733 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2562 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2562 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5073 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5073 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9243 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9243 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3413 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3413 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7583 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7583 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1753 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1753 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5923 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5923 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0093 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0093 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4263 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4263 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1567 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1567 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7411 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7411 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3241 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3241 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9071 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9071 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4900 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4900 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0731 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0731 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6561 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6561 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2391 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2391 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8221 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8221 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5399 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5399 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5425 -1.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5425 -1.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2562 0.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2562 0.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6733 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6733 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 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 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 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 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21000BC01 | + | ID LBF21000BC01 |
| − | FORMULA C22H44O2 | + | FORMULA C22H44O2 |
| − | EXACTMASS 340.334130652 | + | EXACTMASS 340.334130652 |
| − | AVERAGEMASS 340.58356000000003 | + | AVERAGEMASS 340.58356000000003 |
| − | SMILES C(CCC(O)=O)CCCCCCCCCCCCCCCC(C)C | + | SMILES C(CCC(O)=O)CCCCCCCCCCCCCCCC(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
-5.0903 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6733 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2562 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5073 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9243 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7583 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1753 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4263 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1567 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7411 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9071 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4900 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6561 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2391 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8221 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5399 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5425 -1.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2562 0.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6733 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
4 1 1 0 0 0 0
4 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
13 14 1 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 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
21 23 2 0 0 0 0
2 24 1 0 0 0 0
S SKP 5
ID LBF21000BC01
FORMULA C22H44O2
EXACTMASS 340.334130652
AVERAGEMASS 340.58356000000003
SMILES C(CCC(O)=O)CCCCCCCCCCCCCCCC(C)C
M END
