Mol:LBF13000BC05
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 15 0 0 1 0 0 0 0 0999 V2000 | + | 16 15 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.1069 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1069 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2789 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2789 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8664 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8664 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0414 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0414 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7469 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7469 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1593 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1593 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7469 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7469 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1593 0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1593 0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7469 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7469 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1593 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1593 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7369 -3.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7369 -3.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1069 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1069 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5294 3.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5294 3.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5294 2.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5294 2.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 4 0 0 0 | + | 2 3 1 4 0 0 0 |
| − | 1 4 1 0 0 0 0 | + | 1 4 1 0 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 6 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 13 12 1 4 0 0 0 | + | 13 12 1 4 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 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF13000BC05 | + | ID LBF13000BC05 |
| − | FORMULA C14H28O2 | + | FORMULA C14H28O2 |
| − | EXACTMASS 228.20893013999998 | + | EXACTMASS 228.20893013999998 |
| − | AVERAGEMASS 228.37091999999998 | + | AVERAGEMASS 228.37091999999998 |
| − | SMILES CCCCC(C)CCCCCCCC(O)=O | + | SMILES CCCCC(C)CCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
-4.1069 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2789 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8664 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0414 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7369 -3.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1069 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5294 3.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5294 2.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
1 4 1 0 0 0 0
2 6 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
2 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
11 12 1 0 0 0 0
13 12 1 4 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 5
ID LBF13000BC05
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCC(C)CCCCCCCC(O)=O
M END
