Mol:LBF20309HO01
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 1 0 0 0 0 0999 V2000 | + | 24 23 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.5289 -0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5289 -0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1164 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1164 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2914 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2914 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2914 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2914 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1164 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1164 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5778 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5778 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 -0.7693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.8642 -0.7693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.5778 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5778 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8642 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0392 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0392 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0392 -0.7693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0392 -0.7693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6745 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6745 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3881 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3881 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1017 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1017 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8153 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8153 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5289 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5289 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6745 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6745 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3881 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3881 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1017 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1017 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3733 -1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3733 -1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2767 -1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2767 -1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8140 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8140 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8140 1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8140 1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5284 0.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5284 0.2468 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 7 11 1 0 0 0 0 | + | 7 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 |
| − | 10 17 1 0 0 0 0 | + | 10 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 |
| − | 11 20 1 4 0 0 0 | + | 11 20 1 4 0 0 0 |
| − | 7 21 1 4 0 0 0 | + | 7 21 1 4 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20309HO01 | + | ID LBF20309HO01 |
| − | FORMULA C20H34O4 | + | FORMULA C20H34O4 |
| − | EXACTMASS 338.24570957599997 | + | EXACTMASS 338.24570957599997 |
| − | AVERAGEMASS 338.48156 | + | AVERAGEMASS 338.48156 |
| − | SMILES C(CCC(O)C(O)CC=CCC=CCC=CCCCC(O)=O)CC | + | SMILES C(CCC(O)C(O)CC=CCC=CCC=CCCCC(O)=O)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.5289 -0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -0.7693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.5778 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -0.7693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6745 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 -1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2767 -1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5284 0.2468 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
8 9 1 0 0 0 0
9 10 2 0 0 0 0
7 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
10 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
11 20 1 4 0 0 0
7 21 1 4 0 0 0
19 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
S SKP 5
ID LBF20309HO01
FORMULA C20H34O4
EXACTMASS 338.24570957599997
AVERAGEMASS 338.48156
SMILES C(CCC(O)C(O)CC=CCC=CCC=CCCCC(O)=O)CC
M END
