Mol:LBF16306SC01
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 17 0 0 0 0 0 0 0 0999 V2000 | + | 18 17 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.5874 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5874 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1456 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1456 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6681 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6681 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1456 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1456 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9274 0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9274 0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3608 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3608 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7627 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7627 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1399 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1399 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5349 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5349 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0426 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0426 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5926 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5926 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1426 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1426 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7476 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7476 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4076 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4076 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9576 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9576 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5351 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5351 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0851 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0851 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6681 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6681 -0.3870 0.0000 C 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 |
| − | 2 4 2 0 0 0 0 | + | 2 4 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 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 2 0 0 0 0 | + | 9 10 2 0 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 2 0 0 0 0 | + | 12 13 2 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 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF16306SC01 | + | ID LBF16306SC01 |
| − | FORMULA C16H26O2 | + | FORMULA C16H26O2 |
| − | EXACTMASS 250.19328007599998 | + | EXACTMASS 250.19328007599998 |
| − | AVERAGEMASS 250.37643999999997 | + | AVERAGEMASS 250.37643999999997 |
| − | SMILES CCCCCC=CCC=CCC=CCCC(O)=O | + | SMILES CCCCCC=CCC=CCC=CCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
3.5874 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1456 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6681 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1456 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9274 0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3608 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7627 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1399 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5349 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0426 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5926 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1426 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7476 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4076 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9576 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5351 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0851 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6681 -0.3870 0.0000 C 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
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 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
17 18 1 0 0 0 0
S SKP 5
ID LBF16306SC01
FORMULA C16H26O2
EXACTMASS 250.19328007599998
AVERAGEMASS 250.37643999999997
SMILES CCCCCC=CCC=CCC=CCCC(O)=O
M END
