Mol:LBF18303HP01
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 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.9281 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9281 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6371 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6371 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1133 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1133 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2883 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2883 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7688 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7688 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0417 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0417 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5160 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5160 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9281 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9281 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9281 0.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9281 0.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7790 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7790 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1911 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1911 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7790 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7790 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1911 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1911 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7790 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7790 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1911 -2.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1911 -2.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7790 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7790 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8521 1.5306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.8521 1.5306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8521 2.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8521 2.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1383 2.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1383 2.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1133 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1133 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7688 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7688 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0417 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0417 1.5161 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 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 7 16 1 0 0 0 0 | + | 7 16 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 |
| − | 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 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 10 1 4 0 0 0 | + | 17 10 1 4 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 |
| − | 3 20 2 0 0 0 0 | + | 3 20 2 0 0 0 0 |
| − | 5 21 2 0 0 0 0 | + | 5 21 2 0 0 0 0 |
| − | 6 22 2 0 0 0 0 | + | 6 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18303HP01 | + | ID LBF18303HP01 |
| − | FORMULA C18H30O4 | + | FORMULA C18H30O4 |
| − | EXACTMASS 310.21440944799997 | + | EXACTMASS 310.21440944799997 |
| − | AVERAGEMASS 310.4284 | + | AVERAGEMASS 310.4284 |
| − | SMILES CCC=CCC=CC=CC(OO)CCCCCCCC(O)=O | + | SMILES CCC=CCC=CC=CC(OO)CCCCCCCC(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/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.9281 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6371 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1133 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2883 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7688 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0417 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5160 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 0.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1911 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1911 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1911 -2.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 1.5306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8521 2.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1383 2.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1133 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7688 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0417 1.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 20 1 0 0 0 0
3 4 1 0 0 0 0
4 21 1 0 0 0 0
5 22 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
7 16 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
14 15 1 0 0 0 0
15 16 1 0 0 0 0
6 17 1 0 0 0 0
17 10 1 4 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 2 0 0 0 0
5 21 2 0 0 0 0
6 22 2 0 0 0 0
S SKP 5
ID LBF18303HP01
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES CCC=CCC=CC=CC(OO)CCCCCCCC(O)=O
M END
