Mol:LBF13111BC01
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 |
| − | -2.7495 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7495 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9425 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9425 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1951 1.4289 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1951 1.4289 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.4166 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4166 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1640 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1640 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1951 0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1951 0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3370 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3370 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7495 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7495 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7495 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7495 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0642 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0642 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6517 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6517 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0642 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0642 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6517 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6517 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0642 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0642 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6517 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6517 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1640 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1640 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 16 1 0 0 0 0 | + | 4 16 1 0 0 0 0 |
| − | 3 6 1 4 0 0 0 | + | 3 6 1 4 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 1 10 1 0 0 0 0 | + | 1 10 1 0 0 0 0 |
| − | 2 15 1 0 0 0 0 | + | 2 15 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 |
| − | 5 16 2 0 0 0 0 | + | 5 16 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF13111BC01 | + | ID LBF13111BC01 |
| − | FORMULA C14H26O2 | + | FORMULA C14H26O2 |
| − | EXACTMASS 226.19328007599998 | + | EXACTMASS 226.19328007599998 |
| − | AVERAGEMASS 226.35504 | + | AVERAGEMASS 226.35504 |
| − | SMILES CCCCCCCCC(C)CC=CC(O)=O | + | SMILES CCCCCCCCC(C)CC=CC(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
-2.7495 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9425 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1951 1.4289 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.4166 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1951 0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3370 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7495 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7495 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0642 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0642 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0642 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
4 16 1 0 0 0 0
3 6 1 4 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
1 10 1 0 0 0 0
2 15 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
5 16 2 0 0 0 0
S SKP 5
ID LBF13111BC01
FORMULA C14H26O2
EXACTMASS 226.19328007599998
AVERAGEMASS 226.35504
SMILES CCCCCCCCC(C)CC=CC(O)=O
M END
