Mol:LBF17000HO01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 19 0 0 1 0 0 0 0 0999 V2000 | + | 20 19 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.3462 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3462 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9292 -0.2627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.9292 -0.2627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.5562 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5562 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1434 -0.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1434 -0.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5617 1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5617 1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7632 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7632 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1803 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1803 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5972 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5972 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0142 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0142 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4312 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4312 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1518 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1518 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7347 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7347 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3453 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3453 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0937 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0937 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6770 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6770 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2604 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2604 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8438 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8438 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5600 -0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5600 -0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9142 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9142 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1434 0.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1434 0.0512 0.0000 C 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 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 |
| − | 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 |
| − | 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 |
| − | 2 19 1 4 0 0 0 | + | 2 19 1 4 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF17000HO01 | + | ID LBF17000HO01 |
| − | FORMULA C17H34O3 | + | FORMULA C17H34O3 |
| − | EXACTMASS 286.25079495399996 | + | EXACTMASS 286.25079495399996 |
| − | AVERAGEMASS 286.45006 | + | AVERAGEMASS 286.45006 |
| − | SMILES CCCCCCCCCCCCCCCC(O)C(O)=O | + | SMILES CCCCCCCCCCCCCCCC(O)C(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
3.3462 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9292 -0.2627 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5562 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1434 -0.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5617 1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7632 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1803 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5972 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0142 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4312 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1518 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3453 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0937 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6770 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2604 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8438 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5600 -0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9142 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1434 0.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 2 0 0 0 0
1 6 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
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
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
2 19 1 4 0 0 0
18 20 1 0 0 0 0
S SKP 5
ID LBF17000HO01
FORMULA C17H34O3
EXACTMASS 286.25079495399996
AVERAGEMASS 286.45006
SMILES CCCCCCCCCCCCCCCC(O)C(O)=O
M END
