Mol:LBF13000HO01
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 15 0 0 1 0 0 0 0 0999 V2000 | + | 16 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.0306 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0306 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6135 -0.2626 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.6135 -0.2626 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.2406 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2406 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8277 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8277 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2460 1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2460 1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4476 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4476 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8646 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8646 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2815 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2815 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3015 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3015 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8844 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8844 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4674 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4674 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0504 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0504 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6610 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6610 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2444 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2444 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8277 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8277 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6135 -1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6135 -1.0876 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 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 |
| − | 2 16 1 4 0 0 0 | + | 2 16 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF13000HO01 | + | ID LBF13000HO01 |
| − | FORMULA C13H26O3 | + | FORMULA C13H26O3 |
| − | EXACTMASS 230.188194698 | + | EXACTMASS 230.188194698 |
| − | AVERAGEMASS 230.34373999999997 | + | AVERAGEMASS 230.34373999999997 |
| − | SMILES CCCCCCCCCCCC(O)C(O)=O | + | SMILES CCCCCCCCCCCC(O)C(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
2.0306 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6135 -0.2626 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.2406 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8277 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2460 1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4476 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8646 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2815 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8844 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4674 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6610 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2444 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8277 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6135 -1.0876 0.0000 O 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
2 16 1 4 0 0 0
S SKP 5
ID LBF13000HO01
FORMULA C13H26O3
EXACTMASS 230.188194698
AVERAGEMASS 230.34373999999997
SMILES CCCCCCCCCCCC(O)C(O)=O
M END
