Mol:LBF122nnXX01
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 14 0 0 1 0 0 0 0 0999 V2000 | + | 14 14 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.1343 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1343 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8511 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8511 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0261 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0261 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8006 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.8006 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.4840 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4840 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2149 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2149 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6318 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6318 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0488 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0488 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5342 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5342 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1171 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1171 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7001 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7001 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4165 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4165 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1343 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1343 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4151 1.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4151 1.0161 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 3 1 4 0 0 0 | + | 4 3 1 4 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 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 |
| − | 12 14 2 0 0 0 0 | + | 12 14 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF122nnXX01 | + | ID LBF122nnXX01 |
| − | FORMULA C12H20O2 | + | FORMULA C12H20O2 |
| − | EXACTMASS 196.14632988399998 | + | EXACTMASS 196.14632988399998 |
| − | AVERAGEMASS 196.28599999999997 | + | AVERAGEMASS 196.28599999999997 |
| − | SMILES OC(=O)CCCCCCC(C1)C=CC1 | + | SMILES OC(=O)CCCCCCC(C1)C=CC1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 1 0 0 0 0 0999 V2000
-3.1343 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8006 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4840 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2149 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0488 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5342 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1171 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7001 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4165 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4151 1.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 3 1 4 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
4 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
12 14 2 0 0 0 0
S SKP 5
ID LBF122nnXX01
FORMULA C12H20O2
EXACTMASS 196.14632988399998
AVERAGEMASS 196.28599999999997
SMILES OC(=O)CCCCCCC(C1)C=CC1
M END
