Mol:LBF22109SC02
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 |
| − | 3.9655 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9655 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5788 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5788 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2938 0.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2938 0.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5788 1.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5788 1.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3605 0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3605 0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6840 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6840 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0323 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0323 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3558 0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3558 0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7013 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7013 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0248 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0248 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6270 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6270 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3035 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3035 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9580 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9580 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6345 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6345 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2862 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2862 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9627 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9627 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9627 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9627 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2862 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2862 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5795 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5795 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6172 0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6172 0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2938 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2938 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2938 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2938 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5870 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5870 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9264 -1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9264 -1.3674 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 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 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 |
| − | 16 20 1 0 0 0 0 | + | 16 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF22109SC02 | + | ID LBF22109SC02 |
| − | FORMULA C22H42O2 | + | FORMULA C22H42O2 |
| − | EXACTMASS 338.318480588 | + | EXACTMASS 338.318480588 |
| − | AVERAGEMASS 338.56768000000005 | + | AVERAGEMASS 338.56768000000005 |
| − | SMILES C(CCC(O)=O)CCCCCCCCC=CCCCCCCCC | + | SMILES C(CCC(O)=O)CCCCCCCCC=CCCCCCCCC |
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
3.9655 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5788 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2938 0.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5788 1.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3605 0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6840 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0323 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3558 0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0248 0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6270 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3035 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9580 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6345 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2862 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9627 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9627 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2862 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6172 0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2938 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2938 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5870 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9264 -1.3674 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 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
17 23 1 0 0 0 0
24 19 1 0 0 0 0
S SKP 5
ID LBF22109SC02
FORMULA C22H42O2
EXACTMASS 338.318480588
AVERAGEMASS 338.56768000000005
SMILES C(CCC(O)=O)CCCCCCCCC=CCCCCCCCC
M END
