Mol:LBF182nnHP01
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 26 0 0 1 0 0 0 0 0999 V2000 | + | 25 26 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.7497 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7497 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2533 -0.0757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -4.2533 -0.0757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.4750 0.1938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.4750 0.1938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.4916 1.0174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.4916 1.0174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.2753 1.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -4.2753 1.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.7545 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7545 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0505 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0505 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0505 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0505 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7545 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7545 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3286 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.3286 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8164 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8164 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5314 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5314 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2464 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2464 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9614 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9614 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6764 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6764 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1003 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1003 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1058 -0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1058 -0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3913 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3913 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3913 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3913 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1058 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1058 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1058 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1058 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3287 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3287 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0431 -1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0431 -1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 1 4 0 0 0 | + | 2 1 1 4 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 1 1 4 0 0 0 | + | 5 1 1 4 0 0 0 |
| − | 3 6 1 4 0 0 0 | + | 3 6 1 4 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 4 9 1 4 0 0 0 | + | 4 9 1 4 0 0 0 |
| − | 10 7 1 4 0 0 0 | + | 10 7 1 4 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 10 24 1 0 0 0 0 | + | 10 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF182nnHP01 | + | ID LBF182nnHP01 |
| − | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
| − | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
| − | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
| − | SMILES C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1 | + | SMILES C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 1 0 0 0 0 0999 V2000
-4.7497 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2533 -0.0757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4750 0.1938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4916 1.0174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.2753 1.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.7545 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0505 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0505 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7545 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3286 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6136 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8164 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5314 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2464 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9614 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6764 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1003 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1058 -0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3913 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3913 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1058 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1058 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3287 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0431 -1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 4 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 4 0 0 0
3 6 1 4 0 0 0
6 7 2 0 0 0 0
8 9 1 0 0 0 0
4 9 1 4 0 0 0
10 7 1 4 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
16 17 1 0 0 0 0
5 18 1 0 0 0 0
2 19 1 0 0 0 0
18 19 1 0 0 0 0
17 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
10 24 1 0 0 0 0
24 25 1 0 0 0 0
S SKP 5
ID LBF182nnHP01
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1
M END
