Mol:LBF20307HO01
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 |
| − | -3.5289 0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5289 0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1164 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1164 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2914 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2914 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2914 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2914 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1164 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1164 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5778 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5778 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8642 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5778 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5778 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8642 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1505 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1505 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5631 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5631 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2767 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2767 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9903 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9903 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0392 -0.4235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0392 -0.4235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6745 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6745 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3881 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3881 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1017 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1017 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8153 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8153 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5289 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5289 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5439 -1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5439 -1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7026 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7026 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7026 -0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7026 -0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4171 1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4171 1.0065 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 2 0 0 0 0 | + | 6 7 2 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 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 |
| − | 7 14 1 0 0 0 0 | + | 7 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 14 20 1 6 0 0 0 | + | 14 20 1 6 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 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 LBF20307HO01 | + | ID LBF20307HO01 |
| − | FORMULA C20H34O3 | + | FORMULA C20H34O3 |
| − | EXACTMASS 322.25079495399996 | + | EXACTMASS 322.25079495399996 |
| − | AVERAGEMASS 322.48216 | + | AVERAGEMASS 322.48216 |
| − | SMILES C(CCC(C=CC=CCC=CCCCCCCC(O)=O)O)CC | + | SMILES C(CCC(C=CC=CCC=CCCCCCCC(O)=O)O)CC |
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
-3.5289 0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1505 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5631 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2767 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9903 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -0.4235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6745 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5439 -1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7026 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7026 -0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4171 1.0065 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 2 0 0 0 0
4 8 1 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
7 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
18 19 1 0 0 0 0
14 20 1 6 0 0 0
13 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20307HO01
FORMULA C20H34O3
EXACTMASS 322.25079495399996
AVERAGEMASS 322.48216
SMILES C(CCC(C=CC=CCC=CCCCCCCC(O)=O)O)CC
M END
