Mol:LBF19000XX01
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 21 0 0 1 0 0 0 0 0999 V2000 | + | 21 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -0.6524 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6524 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0668 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0668 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5163 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5163 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0993 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0993 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6823 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6823 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2653 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2653 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2355 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2355 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8185 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8185 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4015 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4015 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9831 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9831 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9857 -0.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9857 -0.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6994 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6994 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9844 0.4124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9844 0.4124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.9844 -0.4126 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9844 -0.4126 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.4015 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4015 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8185 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8185 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2355 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2355 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6524 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6524 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0694 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0694 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5135 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5135 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6994 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6994 -0.0001 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 7 1 1 0 0 0 0 | + | 7 1 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 |
| − | 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 |
| − | 13 21 1 4 0 0 0 | + | 13 21 1 4 0 0 0 |
| − | 14 21 1 4 0 0 0 | + | 14 21 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF19000XX01 | + | ID LBF19000XX01 |
| − | FORMULA C19H36O2 | + | FORMULA C19H36O2 |
| − | EXACTMASS 296.271530396 | + | EXACTMASS 296.271530396 |
| − | AVERAGEMASS 296.48794000000004 | + | AVERAGEMASS 296.48794000000004 |
| − | SMILES C(C(CCCCCCCCCC(O)=O)1)(CCCCCC)C1 | + | SMILES C(C(CCCCCCCCCC(O)=O)1)(CCCCCC)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 1 0 0 0 0 0999 V2000
-0.6524 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0668 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5163 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0993 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6823 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2653 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2355 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8185 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4015 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9831 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9857 -0.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6994 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9844 0.4124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.9844 -0.4126 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4015 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8185 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2355 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6524 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0694 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5135 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6994 -0.0001 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
4 5 1 0 0 0 0
5 6 1 0 0 0 0
7 1 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 6 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
9 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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
13 21 1 4 0 0 0
14 21 1 4 0 0 0
S SKP 5
ID LBF19000XX01
FORMULA C19H36O2
EXACTMASS 296.271530396
AVERAGEMASS 296.48794000000004
SMILES C(C(CCCCCCCCCC(O)=O)1)(CCCCCC)C1
M END
