Mol:LBF20206SC01
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 |
| − | 3.8404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4124 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4124 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0174 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0174 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4124 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4124 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2904 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2904 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2454 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2454 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7779 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7779 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2829 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2829 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7604 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7604 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2379 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2379 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2021 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2021 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6146 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6146 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2746 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2746 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6871 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6871 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1271 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1271 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8696 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8696 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2821 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2821 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7496 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7496 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1896 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1896 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6021 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6021 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0174 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0174 -0.6606 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 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 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 2 0 0 0 0 | + | 16 17 2 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 |
| − | 21 20 1 0 0 0 0 | + | 21 20 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 LBF20206SC01 | + | ID LBF20206SC01 |
| − | FORMULA C20H36O2 | + | FORMULA C20H36O2 |
| − | EXACTMASS 308.271530396 | + | EXACTMASS 308.271530396 |
| − | AVERAGEMASS 308.49864 | + | AVERAGEMASS 308.49864 |
| − | SMILES C(CC=CCC=CCCCCCCCCCC(O)=O)CCC | + | SMILES C(CC=CCC=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
3.8404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4124 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0174 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4124 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2904 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2454 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7779 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2829 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7604 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2379 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2021 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6146 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2746 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6871 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1271 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8696 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2821 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7496 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1896 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6021 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0174 -0.6606 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
13 14 2 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 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
21 20 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20206SC01
FORMULA C20H36O2
EXACTMASS 308.271530396
AVERAGEMASS 308.49864
SMILES C(CC=CCC=CCCCCCCCCCC(O)=O)CCC
M END
