Mol:LBF20306EO01
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 23 0 0 1 0 0 0 0 0999 V2000 | + | 23 23 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.5289 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5289 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1164 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1164 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2914 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2914 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2914 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2914 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1164 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1164 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5778 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5778 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8642 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5778 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5778 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.8642 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0392 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0392 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0392 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0392 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6745 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6745 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3881 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3881 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1017 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1017 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8153 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8153 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5289 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5289 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6745 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6745 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3881 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3881 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1017 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1017 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4517 1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4517 1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8140 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8140 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8140 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8140 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5284 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5284 -0.1107 0.0000 O 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 9 8 1 4 0 0 0 | + | 9 8 1 4 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 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 |
| − | 10 17 1 4 0 0 0 | + | 10 17 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 |
| − | 9 20 1 0 0 0 0 | + | 9 20 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20306EO01 | + | ID LBF20306EO01 |
| − | FORMULA C20H32O3 | + | FORMULA C20H32O3 |
| − | EXACTMASS 320.23514489 | + | EXACTMASS 320.23514489 |
| − | AVERAGEMASS 320.46628 | + | AVERAGEMASS 320.46628 |
| − | SMILES C(CC=CCC=CCC=CCC(O1)C1CCCC(O)=O)CCC | + | SMILES C(CC=CCC=CCC=CCC(O1)C1CCCC(O)=O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
-3.5289 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0392 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0392 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4517 1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5284 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
4 8 1 0 0 0 0
9 8 1 4 0 0 0
9 10 1 0 0 0 0
7 11 2 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
10 17 1 4 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
9 20 1 0 0 0 0
10 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20306EO01
FORMULA C20H32O3
EXACTMASS 320.23514489
AVERAGEMASS 320.46628
SMILES C(CC=CCC=CCC=CCC(O1)C1CCCC(O)=O)CCC
M END
