Mol:LBF18107HO04
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 22 0 0 1 0 0 0 0 0999 V2000 | + | 23 22 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.3844 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3844 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1525 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1525 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2008 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2008 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5075 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5075 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5173 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5173 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1525 2.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1525 2.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5173 2.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5173 2.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5075 2.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5075 2.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7442 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7442 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3317 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3317 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5067 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5067 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0942 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0942 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 -0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 -0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4398 -2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4398 -2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9719 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9719 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3844 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3844 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3844 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3844 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2008 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2008 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 5 7 1 4 0 0 0 | + | 5 7 1 4 0 0 0 |
| − | 4 8 1 4 0 0 0 | + | 4 8 1 4 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 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 |
| − | 5 13 1 0 0 0 0 | + | 5 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 |
| − | 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 |
| − | 19 18 1 4 0 0 0 | + | 19 18 1 4 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 3 23 2 0 0 0 0 | + | 3 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18107HO04 | + | ID LBF18107HO04 |
| − | FORMULA C18H34O5 | + | FORMULA C18H34O5 |
| − | EXACTMASS 330.240624198 | + | EXACTMASS 330.240624198 |
| − | AVERAGEMASS 330.45956 | + | AVERAGEMASS 330.45956 |
| − | SMILES CCCCCC(O)C=CC(O)C(O)CCCCCCCC(O)=O | + | SMILES CCCCCC(O)C=CC(O)C(O)CCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-4.3844 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1525 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2008 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5173 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1525 2.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5173 2.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 2.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7442 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3317 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5067 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0942 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4398 -2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9719 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3844 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3844 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2008 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 23 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
5 7 1 4 0 0 0
4 8 1 4 0 0 0
1 9 1 0 0 0 0
2 12 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
5 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
16 17 1 0 0 0 0
17 18 1 0 0 0 0
19 18 1 4 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
3 23 2 0 0 0 0
S SKP 5
ID LBF18107HO04
FORMULA C18H34O5
EXACTMASS 330.240624198
AVERAGEMASS 330.45956
SMILES CCCCCC(O)C=CC(O)C(O)CCCCCCCC(O)=O
M END
