Mol:LBF11109BC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
| − | -0.7418 0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.7418 0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0913 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0913 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6755 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6755 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2028 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2028 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7418 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7418 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7903 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7903 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2028 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2028 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2028 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2028 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6309 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6309 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1941 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1941 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6066 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6066 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4316 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4316 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8441 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8441 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6755 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6755 0.3572 0.0000 C 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 |
| − | 14 2 1 0 0 0 0 | + | 14 2 1 0 0 0 0 |
| − | 1 5 1 4 0 0 0 | + | 1 5 1 4 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 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 |
| − | 3 14 2 0 0 0 0 | + | 3 14 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF11109BC01 | + | ID LBF11109BC01 |
| − | FORMULA C12H22O2 | + | FORMULA C12H22O2 |
| − | EXACTMASS 198.16197994799998 | + | EXACTMASS 198.16197994799998 |
| − | AVERAGEMASS 198.30187999999998 | + | AVERAGEMASS 198.30187999999998 |
| − | SMILES CCCCCCC(C)CC=CC(O)=O | + | SMILES CCCCCCC(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/
14 13 0 0 1 0 0 0 0 0999 V2000
-0.7418 0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0913 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6755 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2028 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7418 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7903 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2028 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2028 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6309 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1941 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6066 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4316 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8441 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6755 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
14 2 1 0 0 0 0
1 5 1 4 0 0 0
3 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
1 9 1 0 0 0 0
4 13 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
3 14 2 0 0 0 0
S SKP 5
ID LBF11109BC01
FORMULA C12H22O2
EXACTMASS 198.16197994799998
AVERAGEMASS 198.30187999999998
SMILES CCCCCCC(C)CC=CC(O)=O
M END
