Mol:LBF18000BC05
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.8066 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8066 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7414 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7414 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7414 1.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7414 1.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8078 -1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8078 -1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7253 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7253 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6796 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6796 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3078 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3078 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8953 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8953 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6208 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6208 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2083 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2083 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6208 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6208 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2083 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2083 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6208 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6208 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2083 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2083 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6208 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6208 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3941 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3941 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8066 2.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8066 2.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8066 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8066 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9652 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9652 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1787 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1787 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3818 0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3818 0.6249 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 2 9 1 0 0 0 0 | + | 2 9 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 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 4 16 1 0 0 0 0 | + | 4 16 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 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 4 1 0 0 0 0 | + | 22 4 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18000BC05 | + | ID LBF18000BC05 |
| − | FORMULA C20H40O2 | + | FORMULA C20H40O2 |
| − | EXACTMASS 312.302830524 | + | EXACTMASS 312.302830524 |
| − | AVERAGEMASS 312.53040000000004 | + | AVERAGEMASS 312.53040000000004 |
| − | SMILES C(CC(CCCCCCCC(CCCCC(O)=O)C)C)CC | + | SMILES C(CC(CCCCCCCC(CCCCC(O)=O)C)C)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-3.8066 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7414 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7414 1.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8078 -1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7253 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6796 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3078 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8953 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8066 2.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8066 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9652 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1787 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3818 0.6249 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
1 7 1 0 0 0 0
2 9 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
2 10 1 0 0 0 0
4 16 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
15 16 1 0 0 0 0
6 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 4 1 0 0 0 0
S SKP 5
ID LBF18000BC05
FORMULA C20H40O2
EXACTMASS 312.302830524
AVERAGEMASS 312.53040000000004
SMILES C(CC(CCCCCCCC(CCCCC(O)=O)C)C)CC
M END
