Mol:LBF11000BC08
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.6125 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6125 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9975 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9975 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2971 1.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2971 1.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2971 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2971 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3706 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3706 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2014 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2014 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6125 1.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6125 1.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6125 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6125 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7612 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7612 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1722 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7612 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7612 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1722 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7612 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7612 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1722 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 -2.2739 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 |
| − | 3 4 1 4 0 0 0 | + | 3 4 1 4 0 0 0 |
| − | 2 5 1 0 0 0 0 | + | 2 5 1 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 6 14 1 0 0 0 0 | + | 6 14 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 |
| − | 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF11000BC08 | + | ID LBF11000BC08 |
| − | FORMULA C12H24O2 | + | FORMULA C12H24O2 |
| − | EXACTMASS 200.17763001199998 | + | EXACTMASS 200.17763001199998 |
| − | AVERAGEMASS 200.31776 | + | AVERAGEMASS 200.31776 |
| − | SMILES CCCC(C)CCCCCCC(O)=O | + | SMILES CCCC(C)CCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
-4.6125 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9975 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2971 1.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2971 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3706 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2014 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6125 1.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6125 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7612 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7612 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7612 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
3 4 1 4 0 0 0
2 5 1 0 0 0 0
3 5 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
3 9 1 0 0 0 0
6 14 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
S SKP 5
ID LBF11000BC08
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CCCC(C)CCCCCCC(O)=O
M END
