Mol:LBF18206SC03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 19 0 0 0 0 0 0 0 0999 V2000 | + | 20 19 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7785 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7785 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3505 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3505 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9555 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9555 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3505 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3505 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1735 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1735 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5960 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5960 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1285 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1285 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5235 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5235 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0010 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0010 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4510 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4510 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1540 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1540 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7040 -0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7040 -0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1990 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1990 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6390 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6390 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3884 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3884 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8862 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8862 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4224 -0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4224 -0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9215 0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9215 0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4577 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4577 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9555 0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9555 0.1877 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 2 0 0 0 0 | + | 7 8 2 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 2 0 0 0 0 | + | 15 14 2 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18206SC03 | + | ID LBF18206SC03 |
| − | FORMULA C18H32O2 | + | FORMULA C18H32O2 |
| − | EXACTMASS 280.240230268 | + | EXACTMASS 280.240230268 |
| − | AVERAGEMASS 280.44548000000003 | + | AVERAGEMASS 280.44548000000003 |
| − | SMILES CCCCCC=CCCCCCC=CCCCC(O)=O | + | SMILES CCCCCC=CCCCCCC=CCCCC(O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.7785 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3505 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9555 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3505 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1735 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5960 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1285 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5235 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4510 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7040 -0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1990 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6390 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3884 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8862 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4224 -0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9215 0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4577 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9555 0.1877 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 2 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 2 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
S SKP 5
ID LBF18206SC03
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCC=CCCCCCC=CCCCC(O)=O
M END
