Mol:LBF18206HO02
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 20 0 0 1 0 0 0 0 0999 V2000 | + | 21 20 0 0 1 0 0 0 0 0999 V2000 |
| − | -0.7126 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7126 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0251 -0.1512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0251 -0.1512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6338 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6338 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3483 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3483 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0628 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0628 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7772 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7772 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4917 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4917 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2062 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2062 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9206 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9206 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6351 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6351 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3496 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3496 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6351 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6351 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4551 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4551 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1701 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1701 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9126 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9126 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6551 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6551 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3701 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3701 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0026 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0026 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6351 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6351 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.3496 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3496 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0387 0.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0387 0.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 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 6 1 0 0 0 0 | + | 5 6 1 0 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 |
| − | 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 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 1 13 2 0 0 0 0 | + | 1 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 1 4 0 0 0 | + | 2 21 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18206HO02 | + | ID LBF18206HO02 |
| − | FORMULA C18H32O3 | + | FORMULA C18H32O3 |
| − | EXACTMASS 296.23514489 | + | EXACTMASS 296.23514489 |
| − | AVERAGEMASS 296.44488 | + | AVERAGEMASS 296.44488 |
| − | SMILES CCCCCC=CC=CC(O)CCCCCCCC(O)=O | + | SMILES CCCCCC=CC=CC(O)CCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-0.7126 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0251 -0.1512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6338 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3483 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0628 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4917 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2062 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9206 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6351 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3496 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6351 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4551 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1701 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9126 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6551 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3701 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0026 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6351 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3496 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0387 0.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 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 6 1 0 0 0 0
6 7 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
10 11 1 0 0 0 0
10 12 2 0 0 0 0
1 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 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
19 20 1 0 0 0 0
2 21 1 4 0 0 0
S SKP 5
ID LBF18206HO02
FORMULA C18H32O3
EXACTMASS 296.23514489
AVERAGEMASS 296.44488
SMILES CCCCCC=CC=CC(O)CCCCCCCC(O)=O
M END
