Mol:LBF20406HO02
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -3.4739 1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4739 1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3197 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3197 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6249 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6249 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0407 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4879 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4879 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1389 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1389 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6005 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6005 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2362 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2362 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6488 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6488 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4739 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4739 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8880 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8880 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3005 0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3005 0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3005 -1.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3005 -1.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8154 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8154 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4029 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4029 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5778 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5778 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6052 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6052 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1454 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1454 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1454 -1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1454 -1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4309 -1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4309 -1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3197 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3197 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6249 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6249 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4879 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4879 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6005 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6005 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 23 1 0 0 0 0 | + | 4 23 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 7 8 1 4 0 0 0 | + | 7 8 1 4 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 10 9 1 4 0 0 0 | + | 10 9 1 4 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 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 |
| − | 1 14 1 0 0 0 0 | + | 1 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 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 2 1 4 0 0 0 | + | 18 2 1 4 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 2 0 0 0 0 | + | 2 21 2 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | 5 23 2 0 0 0 0 | + | 5 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 LBF20406HO02 | + | ID LBF20406HO02 |
| − | FORMULA C20H32O4 | + | FORMULA C20H32O4 |
| − | EXACTMASS 336.23005951199997 | + | EXACTMASS 336.23005951199997 |
| − | AVERAGEMASS 336.46567999999996 | + | AVERAGEMASS 336.46567999999996 |
| − | SMILES C(CCC(OO)C=CC=CCC=CCC=CCCCC(O)=O)CC | + | SMILES C(CCC(OO)C=CC=CCC=CCC=CCCCC(O)=O)CC |
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
-3.4739 1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3197 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6249 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4879 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1389 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6005 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2362 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6488 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4739 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8880 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3005 0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3005 -1.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8154 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4029 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6052 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1454 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1454 -1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4309 -1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3197 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6249 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4879 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6005 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 22 1 0 0 0 0
3 4 1 0 0 0 0
4 23 1 0 0 0 0
5 6 1 0 0 0 0
6 24 1 0 0 0 0
7 8 1 4 0 0 0
8 9 1 0 0 0 0
10 9 1 4 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
1 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
17 18 1 0 0 0 0
18 2 1 4 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 2 0 0 0 0
3 22 2 0 0 0 0
5 23 2 0 0 0 0
7 24 2 0 0 0 0
S SKP 5
ID LBF20406HO02
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CCC(OO)C=CC=CCC=CCC=CCCCC(O)=O)CC
M END
