Mol:LBF18106EO01
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 21 0 0 1 0 0 0 0 0999 V2000 | + | 21 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.2676 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2676 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5024 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5024 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5366 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5366 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4590 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4590 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9497 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9497 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6856 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6856 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2732 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2732 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4482 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4482 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0357 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0357 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7647 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7647 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3522 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3522 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7647 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7647 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3522 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3522 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7647 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7647 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3522 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3522 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8551 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8551 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2676 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2676 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2676 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2676 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 3 1 0 0 0 0 | + | 21 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 |
| − | 4 6 1 4 0 0 0 | + | 4 6 1 4 0 0 0 |
| − | 5 6 1 4 0 0 0 | + | 5 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 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 17 16 1 4 0 0 0 | + | 17 16 1 4 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 2 21 2 0 0 0 0 | + | 2 21 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18106EO01 | + | ID LBF18106EO01 |
| − | FORMULA C18H32O3 | + | FORMULA C18H32O3 |
| − | EXACTMASS 296.23514489 | + | EXACTMASS 296.23514489 |
| − | AVERAGEMASS 296.44488 | + | AVERAGEMASS 296.44488 |
| − | SMILES C(C(CC=CCCCCC)1)(CCCCCCCC(O)=O)O1 | + | SMILES C(C(CC=CCCCCC)1)(CCCCCCCC(O)=O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 1 0 0 0 0 0999 V2000
-4.2676 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5024 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5366 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4590 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9497 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6856 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2732 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4482 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0357 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8551 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2676 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2676 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 4 0 0 0
5 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
5 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
17 16 1 4 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
2 21 2 0 0 0 0
S SKP 5
ID LBF18106EO01
FORMULA C18H32O3
EXACTMASS 296.23514489
AVERAGEMASS 296.44488
SMILES C(C(CC=CCCCCC)1)(CCCCCCCC(O)=O)O1
M END
