Mol:LBF20406HO03
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 |
| − | -3.3875 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3875 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8350 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8350 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7088 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7088 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3883 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3883 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9754 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9754 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3875 1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3875 1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3875 -0.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3875 -0.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0898 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0898 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5020 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5020 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8488 0.3496 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.8488 0.3496 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8488 -0.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8488 -0.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5627 -0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5627 -0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1693 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1693 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7571 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7571 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9328 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9328 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5207 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5207 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 3 1 0 0 0 0 | + | 21 3 1 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 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 24 12 1 0 0 0 0 | + | 24 12 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 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 8 1 4 0 0 0 | + | 14 8 1 4 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 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 |
| − | 19 20 1 0 0 0 0 | + | 19 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 LBF20406HO03 | + | ID LBF20406HO03 |
| − | FORMULA C20H32O4 | + | FORMULA C20H32O4 |
| − | EXACTMASS 336.23005951199997 | + | EXACTMASS 336.23005951199997 |
| − | AVERAGEMASS 336.46567999999996 | + | AVERAGEMASS 336.46567999999996 |
| − | SMILES C(CC=CCC=CCC=CCC(OO)C=CCCC(O)=O)CCC | + | SMILES C(CC=CCC=CCC=CCC(OO)C=CCCC(O)=O)CCC |
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
-3.3875 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8350 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7088 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3883 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9754 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3875 1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3875 -0.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0898 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5020 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8488 0.3496 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8488 -0.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5627 -0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1693 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7571 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9328 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5207 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 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
9 10 2 0 0 0 0
9 11 1 0 0 0 0
24 12 1 0 0 0 0
9 13 1 0 0 0 0
12 13 1 0 0 0 0
7 14 1 0 0 0 0
14 8 1 4 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
1 17 1 0 0 0 0
2 20 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 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 LBF20406HO03
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CC=CCC=CCC=CCC(OO)C=CCCC(O)=O)CCC
M END
