Mol:LBF183nnXX01
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 20 0 0 1 0 0 0 0 0999 V2000 | + | 20 20 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.9060 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9060 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6228 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6228 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7978 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7978 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5722 0.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.5722 0.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.2556 0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2556 0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9865 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9865 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4035 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4035 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8205 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8205 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2375 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2375 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6545 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6545 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0715 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0715 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4744 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4744 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1619 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1619 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7394 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7394 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2894 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2894 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8669 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8669 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4719 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4719 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1897 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1897 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1924 -0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1924 -0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9060 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9060 0.6881 0.0000 O 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 3 1 4 0 0 0 | + | 4 3 1 4 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 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 2 0 0 0 0 | + | 12 13 2 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 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF183nnXX01 | + | ID LBF183nnXX01 |
| − | FORMULA C18H30O2 | + | FORMULA C18H30O2 |
| − | EXACTMASS 278.224580204 | + | EXACTMASS 278.224580204 |
| − | AVERAGEMASS 278.4296 | + | AVERAGEMASS 278.4296 |
| − | SMILES OC(=O)CCCCC=CCCCCCCC(C1)C=CC1 | + | SMILES OC(=O)CCCCC=CCCCCCCC(C1)C=CC1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
-4.9060 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6228 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7978 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5722 0.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.2556 0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9865 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8205 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2375 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6545 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0715 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4744 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1619 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7394 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8669 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4719 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1897 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1924 -0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9060 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 3 1 4 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
4 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 2 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
18 20 2 0 0 0 0
S SKP 5
ID LBF183nnXX01
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES OC(=O)CCCCC=CCCCCCCC(C1)C=CC1
M END
