Mol:LBF18303HP02
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.9309 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9309 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6396 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6396 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1153 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1153 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2895 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2895 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4787 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4787 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9840 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9840 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7807 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7807 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1932 1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1932 1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7807 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7807 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1932 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1932 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7807 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7807 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1932 -1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1932 -1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7807 -2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7807 -2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4790 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4790 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4790 0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4790 0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2355 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2355 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5184 1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5184 1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9309 2.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9309 2.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9309 1.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9309 1.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1153 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1153 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2895 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2895 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9840 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9840 1.7936 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 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 22 5 1 4 0 0 0 | + | 22 5 1 4 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 |
| − | 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 |
| − | 4 14 1 0 0 0 0 | + | 4 14 1 0 0 0 0 |
| − | 14 5 1 4 0 0 0 | + | 14 5 1 4 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 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 3 20 2 0 0 0 0 | + | 3 20 2 0 0 0 0 |
| − | 4 21 2 0 0 0 0 | + | 4 21 2 0 0 0 0 |
| − | 6 22 2 0 0 0 0 | + | 6 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18303HP02 | + | ID LBF18303HP02 |
| − | FORMULA C18H30O4 | + | FORMULA C18H30O4 |
| − | EXACTMASS 310.21440944799997 | + | EXACTMASS 310.21440944799997 |
| − | AVERAGEMASS 310.4284 | + | AVERAGEMASS 310.4284 |
| − | SMILES CCC=CC=CC(OO)CC=CCCCCCCCC(O)=O | + | SMILES CCC=CC=CC(OO)CC=CCCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.9309 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6396 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1153 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2895 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4787 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9840 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1932 1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1932 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1932 -1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 -2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4790 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4790 0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2355 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9309 2.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9309 1.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1153 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2895 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9840 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 20 1 0 0 0 0
3 21 1 0 0 0 0
22 5 1 4 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
11 12 1 0 0 0 0
13 12 1 4 0 0 0
4 14 1 0 0 0 0
14 5 1 4 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
3 20 2 0 0 0 0
4 21 2 0 0 0 0
6 22 2 0 0 0 0
S SKP 5
ID LBF18303HP02
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES CCC=CC=CC(OO)CC=CCCCCCCCC(O)=O
M END
