Mol:LBF18108HO03
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 |
| − | -4.3696 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3696 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1959 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1959 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2444 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2444 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1473 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1473 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5608 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5608 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5608 2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5608 2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1959 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1959 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4541 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4541 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8666 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8666 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4541 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4541 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8666 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8666 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4541 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4541 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8666 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8666 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4541 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4541 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7876 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7876 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3751 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3751 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5502 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5502 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1377 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1377 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9571 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9571 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3696 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3696 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3696 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3696 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1473 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1473 1.7308 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 |
| − | 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 6 1 4 0 0 0 | + | 5 6 1 4 0 0 0 |
| − | 2 7 1 4 0 0 0 | + | 2 7 1 4 0 0 0 |
| − | 5 8 1 0 0 0 0 | + | 5 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 |
| − | 14 13 1 4 0 0 0 | + | 14 13 1 4 0 0 0 |
| − | 1 15 1 0 0 0 0 | + | 1 15 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 4 22 2 0 0 0 0 | + | 4 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18108HO03 | + | ID LBF18108HO03 |
| − | FORMULA C18H34O4 | + | FORMULA C18H34O4 |
| − | EXACTMASS 314.24570957599997 | + | EXACTMASS 314.24570957599997 |
| − | AVERAGEMASS 314.46016 | + | AVERAGEMASS 314.46016 |
| − | SMILES CCCCCC(O)CC=CC(O)CCCCCCCC(O)=O | + | SMILES CCCCCC(O)CC=CC(O)CCCCCCCC(O)=O |
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
-4.3696 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1959 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2444 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1473 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5608 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5608 2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1959 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4541 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4541 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4541 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4541 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7876 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3751 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5502 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1377 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9571 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3696 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3696 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1473 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 4 0 0 0
2 7 1 4 0 0 0
5 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
14 13 1 4 0 0 0
1 15 1 0 0 0 0
2 18 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
4 22 2 0 0 0 0
S SKP 5
ID LBF18108HO03
FORMULA C18H34O4
EXACTMASS 314.24570957599997
AVERAGEMASS 314.46016
SMILES CCCCCC(O)CC=CC(O)CCCCCCCC(O)=O
M END
