Mol:LBF20406HO04
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 |
| − | -3.4632 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4632 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5747 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5747 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0834 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0834 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6508 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6508 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0147 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0147 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4618 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4618 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1420 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1420 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5891 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5891 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9099 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9099 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9099 -0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9099 -0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1954 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1954 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2448 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2448 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8322 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8322 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0071 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0071 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2256 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2256 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6381 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6381 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4632 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4632 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9058 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9058 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3182 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3182 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3182 -0.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3182 -0.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5747 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5747 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6508 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6508 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4618 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4618 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5891 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5891 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 24 1 0 0 0 0 | + | 7 24 1 0 0 0 0 |
| − | 21 9 1 0 0 0 0 | + | 21 9 1 0 0 0 0 |
| − | 9 3 1 4 0 0 0 | + | 9 3 1 4 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 2 14 1 0 0 0 0 | + | 2 14 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 |
| − | 8 15 1 4 0 0 0 | + | 8 15 1 4 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 17 16 1 4 0 0 0 | + | 17 16 1 4 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 2 21 2 0 0 0 0 | + | 2 21 2 0 0 0 0 |
| − | 4 22 2 0 0 0 0 | + | 4 22 2 0 0 0 0 |
| − | 6 23 2 0 0 0 0 | + | 6 23 2 0 0 0 0 |
| − | 8 24 2 0 0 0 0 | + | 8 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406HO04 | + | ID LBF20406HO04 |
| − | FORMULA C20H32O4 | + | FORMULA C20H32O4 |
| − | EXACTMASS 336.23005951199997 | + | EXACTMASS 336.23005951199997 |
| − | AVERAGEMASS 336.46567999999996 | + | AVERAGEMASS 336.46567999999996 |
| − | SMILES C(C=CCC=CCC(OO)C=CCCCC)C=CCCCC(O)=O | + | SMILES C(C=CCC=CCC(OO)C=CCCCC)C=CCCCC(O)=O |
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
-3.4632 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5747 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0834 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6508 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0147 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4618 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5891 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9099 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9099 -0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1954 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2448 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8322 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0071 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2256 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6381 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4632 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9058 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3182 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3182 -0.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5747 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6508 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4618 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5891 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
5 23 1 0 0 0 0
6 7 1 0 0 0 0
7 24 1 0 0 0 0
21 9 1 0 0 0 0
9 3 1 4 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
1 12 1 0 0 0 0
2 14 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
8 15 1 4 0 0 0
15 16 1 0 0 0 0
17 16 1 4 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
2 21 2 0 0 0 0
4 22 2 0 0 0 0
6 23 2 0 0 0 0
8 24 2 0 0 0 0
S SKP 5
ID LBF20406HO04
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(C=CCC=CCC(OO)C=CCCCC)C=CCCCC(O)=O
M END
