Mol:LBF12000BC04
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 |
| − | -3.3646 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3646 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4259 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.4259 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.4259 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4259 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7823 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.7823 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.7823 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7823 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6009 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6009 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1884 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1884 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6366 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6366 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9521 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9521 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3646 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3646 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3646 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3646 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3997 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3997 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8122 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8122 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0983 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0983 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6858 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6858 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8608 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8608 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 4 0 0 0 | + | 2 3 1 4 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 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 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 2 16 1 0 0 0 0 | + | 2 16 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12000BC04 | + | ID LBF12000BC04 |
| − | FORMULA C14H28O2 | + | FORMULA C14H28O2 |
| − | EXACTMASS 228.20893013999998 | + | EXACTMASS 228.20893013999998 |
| − | AVERAGEMASS 228.37091999999998 | + | AVERAGEMASS 228.37091999999998 |
| − | SMILES CCCCC(C)CCCC(C)CCC(O)=O | + | SMILES CCCCC(C)CCCC(C)CCC(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
-3.3646 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4259 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4259 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7823 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7823 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6009 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1884 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6366 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9521 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3646 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3646 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3997 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8122 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0983 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6858 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8608 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 1 4 0 0 0
2 6 1 0 0 0 0
4 8 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
4 12 1 0 0 0 0
9 13 1 0 0 0 0
12 13 1 0 0 0 0
1 14 1 0 0 0 0
2 16 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
S SKP 5
ID LBF12000BC04
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCC(C)CCCC(C)CCC(O)=O
M END
