Mol:LBF18206HO03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 20 0 0 1 0 0 0 0 0999 V2000 | + | 21 20 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.2293 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2293 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1424 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1424 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2738 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2738 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5804 1.7846 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5804 1.7846 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5804 2.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5804 2.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9238 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9238 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5116 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5116 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6873 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6873 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2752 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2752 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8172 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8172 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2293 2.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2293 2.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2293 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2293 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0358 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0358 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4480 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4480 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0358 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0358 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4480 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4480 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0358 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0358 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4480 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4480 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0358 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0358 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1424 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1424 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2738 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2738 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 2 9 1 0 0 0 0 | + | 2 9 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 2 0 0 0 0 | + | 2 20 2 0 0 0 0 |
| − | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18206HO03 | + | ID LBF18206HO03 |
| − | FORMULA C18H32O3 | + | FORMULA C18H32O3 |
| − | EXACTMASS 296.23514489 | + | EXACTMASS 296.23514489 |
| − | AVERAGEMASS 296.44488 | + | AVERAGEMASS 296.44488 |
| − | SMILES CCCCCC=CC=CC(O)CCCCCCCC(O)=O | + | SMILES CCCCCC=CC=CC(O)CCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-2.2293 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2738 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5804 1.7846 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5804 2.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9238 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5116 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2752 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8172 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2293 2.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2293 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4480 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4480 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4480 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2738 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20 21 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 4 0 0 0
1 6 1 0 0 0 0
2 9 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
4 13 1 0 0 0 0
10 19 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
18 19 1 0 0 0 0
2 20 2 0 0 0 0
3 21 2 0 0 0 0
S SKP 5
ID LBF18206HO03
FORMULA C18H32O3
EXACTMASS 296.23514489
AVERAGEMASS 296.44488
SMILES CCCCCC=CC=CC(O)CCCCCCCC(O)=O
M END
