Mol:LBF12000BC12
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 14 0 0 1 0 0 0 0 0999 V2000 | + | 15 14 0 0 1 0 0 0 0 0999 V2000 |
| − | -1.3285 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3285 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4264 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4264 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4264 2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4264 2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4014 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4014 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8385 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8385 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8927 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8927 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3051 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3051 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8927 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8927 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3051 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3051 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8927 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8927 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3051 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3051 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8927 -2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8927 -2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4259 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4259 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8385 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8385 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8385 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8385 0.9333 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 4 0 0 0 | + | 2 3 1 4 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 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 |
| − | 12 11 1 4 0 0 0 | + | 12 11 1 4 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12000BC12 | + | ID LBF12000BC12 |
| − | FORMULA C13H26O2 | + | FORMULA C13H26O2 |
| − | EXACTMASS 214.19328007599998 | + | EXACTMASS 214.19328007599998 |
| − | AVERAGEMASS 214.34433999999996 | + | AVERAGEMASS 214.34433999999996 |
| − | SMILES CCCC(C)CCCCCCCC(O)=O | + | SMILES CCCC(C)CCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-1.3285 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4014 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8385 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8927 -2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4259 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8385 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8385 0.9333 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 4 0 0 0
4 1 1 0 0 0 0
4 5 1 0 0 0 0
2 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
12 11 1 4 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
S SKP 5
ID LBF12000BC12
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCC(C)CCCCCCCC(O)=O
M END
