Mol:LBF12000BC14
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.4817 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4817 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8533 2.1079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.8533 2.1079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.5625 3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5625 3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8505 3.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8505 3.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6595 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6595 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2485 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2485 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6595 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6595 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2485 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2485 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6595 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6595 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2485 -1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2485 -1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6595 -2.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6595 -2.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2485 -2.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2485 -2.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6595 -3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6595 -3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0706 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0706 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4817 2.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4817 2.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4817 1.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4817 1.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 4 1 0 0 0 0 | + | 2 4 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 2 13 1 4 0 0 0 | + | 2 13 1 4 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 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 |
| − | 2 14 1 0 0 0 0 | + | 2 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12000BC14 | + | ID LBF12000BC14 |
| − | FORMULA C14H28O2 | + | FORMULA C14H28O2 |
| − | EXACTMASS 228.20893013999998 | + | EXACTMASS 228.20893013999998 |
| − | AVERAGEMASS 228.37091999999998 | + | AVERAGEMASS 228.37091999999998 |
| − | SMILES CCCCCCCCCCC(CC)C(O)=O | + | SMILES CCCCCCCCCCC(CC)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
-2.4817 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8533 2.1079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5625 3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8505 3.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 -1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -2.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 -2.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0706 2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4817 2.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4817 1.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0 0 0 0
3 4 1 0 0 0 0
1 5 1 0 0 0 0
2 13 1 4 0 0 0
5 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
2 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 5
ID LBF12000BC14
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCCCCCCCC(CC)C(O)=O
M END
