Mol:LBF18207MO01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 22 0 0 1 0 0 0 0 0999 V2000 | + | 23 22 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.7188 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7188 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4869 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4869 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8518 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8518 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.4869 1.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4869 1.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0786 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0786 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6661 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6661 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8411 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8411 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4287 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4287 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3063 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3063 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7188 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7188 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7188 0.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7188 0.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7742 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7742 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1867 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1867 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7742 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7742 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1867 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1867 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7742 -1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7742 -1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1867 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1867 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8518 1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8518 1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5662 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5662 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 5 4 1 4 0 0 0 | + | 5 4 1 4 0 0 0 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 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 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 5 14 1 0 0 0 0 | + | 5 14 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 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 |
| − | 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | 4 23 2 0 0 0 0 | + | 4 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18207MO01 | + | ID LBF18207MO01 |
| − | FORMULA C19H34O4 | + | FORMULA C19H34O4 |
| − | EXACTMASS 326.24570957599997 | + | EXACTMASS 326.24570957599997 |
| − | AVERAGEMASS 326.47086 | + | AVERAGEMASS 326.47086 |
| − | SMILES CCCCCC(O)C=CC=CC(OC)CCCCCCC(O)=O | + | SMILES CCCCCC(O)C=CC=CC(OC)CCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-4.7188 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4869 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4869 1.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0786 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6661 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8411 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4287 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3063 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7188 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7188 0.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 -1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5662 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 22 1 0 0 0 0
3 23 1 0 0 0 0
5 4 1 4 0 0 0
2 6 1 4 0 0 0
1 7 1 0 0 0 0
2 10 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
11 12 2 0 0 0 0
11 13 1 0 0 0 0
5 14 1 0 0 0 0
11 19 1 0 0 0 0
14 15 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
18 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 2 0 0 0 0
4 23 2 0 0 0 0
S SKP 5
ID LBF18207MO01
FORMULA C19H34O4
EXACTMASS 326.24570957599997
AVERAGEMASS 326.47086
SMILES CCCCCC(O)C=CC=CC(OC)CCCCCCC(O)=O
M END
