Mol:LBF18303HP03
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 |
| − | -2.9451 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9451 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6539 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6539 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1296 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1296 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3039 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3039 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1727 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1727 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9984 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9984 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7950 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7950 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2076 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2076 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7950 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7950 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2076 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2076 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7950 -1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7950 -1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2076 -1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2076 -1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7950 -2.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7950 -2.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5326 1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5326 1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9451 2.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9451 2.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9451 1.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9451 1.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7848 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7848 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7848 0.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7848 0.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0703 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0703 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1296 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1296 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1727 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1727 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9984 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9984 1.7934 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 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 22 21 1 4 0 0 0 | + | 22 21 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 |
| − | 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 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
| − | 17 5 1 4 0 0 0 | + | 17 5 1 4 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 2 0 0 0 0 | + | 3 20 2 0 0 0 0 |
| − | 5 21 2 0 0 0 0 | + | 5 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 LBF18303HP03 | + | ID LBF18303HP03 |
| − | FORMULA C18H30O4 | + | FORMULA C18H30O4 |
| − | EXACTMASS 310.21440944799997 | + | EXACTMASS 310.21440944799997 |
| − | AVERAGEMASS 310.4284 | + | AVERAGEMASS 310.4284 |
| − | SMILES CCC=CCC(OO)C=CC=CCCCCCCCC(O)=O | + | SMILES CCC=CCC(OO)C=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
-2.9451 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6539 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1296 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3039 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1727 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9984 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 -1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 -1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 -2.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9451 2.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9451 1.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7848 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7848 0.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0703 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1296 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1727 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9984 1.7934 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 4 1 0 0 0 0
22 21 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
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
4 17 1 0 0 0 0
17 5 1 4 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 2 0 0 0 0
5 21 2 0 0 0 0
6 22 2 0 0 0 0
S SKP 5
ID LBF18303HP03
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES CCC=CCC(OO)C=CC=CCCCCCCCC(O)=O
M END
