Mol:LBF121nnCA01
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 0 0 0 0 0 0999 V2000 | + | 16 15 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4032 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4032 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9907 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9907 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1657 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1657 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1657 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1657 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9907 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9907 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4521 0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4521 0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2615 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2615 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4521 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4521 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2615 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2615 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9752 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9752 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9751 0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9751 0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9751 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9751 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6896 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6896 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6888 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6888 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6888 -1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6888 -1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4032 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4032 0.1107 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 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 |
| − | 7 11 1 0 0 0 0 | + | 7 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 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 LBF121nnCA01 | + | ID LBF121nnCA01 |
| − | FORMULA C12H20O4 | + | FORMULA C12H20O4 |
| − | EXACTMASS 228.13615912799997 | + | EXACTMASS 228.13615912799997 |
| − | AVERAGEMASS 228.2848 | + | AVERAGEMASS 228.2848 |
| − | SMILES OC(=O)CCCCCCCCC=CC(O)=O | + | SMILES OC(=O)CCCCCCCCC=CC(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 0 0 0 0 0 0999 V2000
-2.4032 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9907 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1657 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1657 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9907 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4521 0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2615 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4521 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2615 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9752 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9751 0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9751 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6896 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6888 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6888 -1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4032 0.1107 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
4 5 1 0 0 0 0
1 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
7 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
10 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 5
ID LBF121nnCA01
FORMULA C12H20O4
EXACTMASS 228.13615912799997
AVERAGEMASS 228.2848
SMILES OC(=O)CCCCCCCCC=CC(O)=O
M END
