Mol:LBF20000HO03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 22 0 0 0 0 0 0 0 0999 V2000 | + | 23 22 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.5002 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5002 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0832 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0832 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7102 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7102 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2974 -0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2974 -0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7157 0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7157 0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9172 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9172 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3343 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3343 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7512 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7512 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1682 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1682 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5852 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5852 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0022 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0022 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4193 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4193 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1913 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1913 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9397 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9397 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5231 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5231 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1064 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1064 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6898 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6898 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2548 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2548 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9698 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9698 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5473 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5473 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1307 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1307 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7140 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7140 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2974 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2974 -0.1292 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 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 |
| − | 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 |
| − | 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20000HO03 | + | ID LBF20000HO03 |
| − | FORMULA C20H40O3 | + | FORMULA C20H40O3 |
| − | EXACTMASS 328.297745146 | + | EXACTMASS 328.297745146 |
| − | AVERAGEMASS 328.5298 | + | AVERAGEMASS 328.5298 |
| − | SMILES C(CCCCCCCCCCCCCCCCC(O)=O)CCO | + | SMILES C(CCCCCCCCCCCCCCCCC(O)=O)CCO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000
4.5002 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0832 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7102 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2974 -0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7157 0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9172 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3343 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7512 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1682 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0022 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4193 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1913 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9397 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1064 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2548 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9698 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5473 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1307 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7140 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2974 -0.1292 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
3 4 1 0 0 0 0
3 5 2 0 0 0 0
1 6 1 0 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
S SKP 5
ID LBF20000HO03
FORMULA C20H40O3
EXACTMASS 328.297745146
AVERAGEMASS 328.5298
SMILES C(CCCCCCCCCCCCCCCCC(O)=O)CCO
M END
