Mol:LBF20406HP01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 1 0 0 0 0 0999 V2000 | + | 24 23 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.4326 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4326 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7779 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7779 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5886 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5886 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5852 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5852 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2021 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2021 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7670 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7670 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8966 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8966 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4613 -2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4613 -2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3020 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3020 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3020 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3020 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0557 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0557 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1270 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1270 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5364 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5364 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4326 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4326 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8146 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8146 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2497 0.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2497 0.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4021 0.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4021 0.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5852 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5852 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 3 1 0 0 0 0 | + | 21 3 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 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 |
| − | 7 12 1 0 0 0 0 | + | 7 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 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 17 16 1 4 0 0 0 | + | 17 16 1 4 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 2 21 2 0 0 0 0 | + | 2 21 2 0 0 0 0 |
| − | 4 22 2 0 0 0 0 | + | 4 22 2 0 0 0 0 |
| − | 6 23 2 0 0 0 0 | + | 6 23 2 0 0 0 0 |
| − | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406HP01 | + | ID LBF20406HP01 |
| − | FORMULA C20H32O4 | + | FORMULA C20H32O4 |
| − | EXACTMASS 336.23005951199997 | + | EXACTMASS 336.23005951199997 |
| − | AVERAGEMASS 336.46567999999996 | + | AVERAGEMASS 336.46567999999996 |
| − | SMILES C(CC=CCC=CCC=CC=CC(OO)CCCC(O)=O)CCC | + | SMILES C(CC=CCC=CCC=CC=CC(OO)CCCC(O)=O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.4326 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7779 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5886 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5852 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2021 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7670 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8966 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4613 -2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0557 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1270 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5364 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4326 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2497 0.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4021 0.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5852 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
5 23 1 0 0 0 0
6 24 1 0 0 0 0
1 8 1 0 0 0 0
2 11 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
7 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
12 15 1 0 0 0 0
15 16 1 0 0 0 0
17 16 1 4 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
2 21 2 0 0 0 0
4 22 2 0 0 0 0
6 23 2 0 0 0 0
7 24 2 0 0 0 0
S SKP 5
ID LBF20406HP01
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CC=CCC=CCC=CC=CC(OO)CCCC(O)=O)CCC
M END
