Mol:LBF18302HP02
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 24 0 0 1 0 0 0 0 0999 V2000 | + | 25 24 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.2417 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2417 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7173 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7173 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9640 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9640 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4982 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4982 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3240 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3240 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9069 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9069 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9069 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9069 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1925 0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1925 0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4586 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4586 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4586 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4586 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2559 0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2559 0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0908 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0908 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5032 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5032 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0908 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0908 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5032 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5032 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0908 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0908 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5032 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5032 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0908 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0908 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8291 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8291 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2417 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2417 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2417 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2417 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8291 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8291 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7173 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7173 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4982 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4982 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3240 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3240 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 25 24 1 4 0 0 0 | + | 25 24 1 4 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 6 3 1 4 0 0 0 | + | 6 3 1 4 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 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 9 4 1 4 0 0 0 | + | 9 4 1 4 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 |
| − | 5 12 1 0 0 0 0 | + | 5 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 17 1 4 0 0 0 | + | 18 17 1 4 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 2 0 0 0 0 | + | 2 23 2 0 0 0 0 |
| − | 4 24 2 0 0 0 0 | + | 4 24 2 0 0 0 0 |
| − | 5 25 2 0 0 0 0 | + | 5 25 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18302HP02 | + | ID LBF18302HP02 |
| − | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
| − | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
| − | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
| − | SMILES CC=CC(OO)CC(OO)C=CC=CCCCCCCCC(=O)OC | + | SMILES CC=CC(OO)CC(OO)C=CC=CCCCCCCCC(=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.2417 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7173 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9640 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3240 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9069 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9069 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4586 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4586 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2559 0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0908 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5032 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0908 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5032 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0908 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5032 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0908 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2417 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2417 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7173 1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3240 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
25 24 1 4 0 0 0
2 6 1 0 0 0 0
6 3 1 4 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
3 9 1 0 0 0 0
9 4 1 4 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
5 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
16 17 1 0 0 0 0
18 17 1 4 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 2 0 0 0 0
4 24 2 0 0 0 0
5 25 2 0 0 0 0
S SKP 5
ID LBF18302HP02
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES CC=CC(OO)CC(OO)C=CC=CCCCCCCCC(=O)OC
M END
