Mol:LBF18303HP04
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 22 0 0 1 0 0 0 0 0999 V2000 | + | 23 22 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.2097 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2097 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9186 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9186 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3948 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3948 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5698 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5698 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0504 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0504 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2399 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2399 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2501 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2501 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2796 1.0853 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2796 1.0853 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2796 0.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2796 0.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9934 -0.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9934 -0.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7975 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7975 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2097 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2097 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2097 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2097 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7975 2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7975 2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0307 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0307 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4428 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4428 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0307 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0307 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4428 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4428 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0307 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0307 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4428 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4428 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3948 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3948 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0504 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0504 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2501 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2501 1.0853 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 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 8 23 1 4 0 0 0 | + | 8 23 1 4 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 |
| − | 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 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 7 15 1 0 0 0 0 | + | 7 15 1 0 0 0 0 |
| − | 11 20 1 0 0 0 0 | + | 11 20 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 |
| − | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | 5 22 2 0 0 0 0 | + | 5 22 2 0 0 0 0 |
| − | 7 23 2 0 0 0 0 | + | 7 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18303HP04 | + | ID LBF18303HP04 |
| − | FORMULA C19H32O4 | + | FORMULA C19H32O4 |
| − | EXACTMASS 324.23005951199997 | + | EXACTMASS 324.23005951199997 |
| − | AVERAGEMASS 324.45498 | + | AVERAGEMASS 324.45498 |
| − | SMILES CCC=CCC=CCC(OO)C=CCCCCCCC(=O)OC | + | SMILES CCC=CCC=CCC(OO)C=CCCCCCCC(=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-3.2097 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9186 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3948 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5698 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0504 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2399 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2501 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2796 1.0853 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2796 0.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9934 -0.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7975 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2097 0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2097 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7975 2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0307 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4428 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0307 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4428 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0307 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4428 -2.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3948 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0504 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2501 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 21 1 0 0 0 0
3 4 1 0 0 0 0
4 22 1 0 0 0 0
5 6 1 0 0 0 0
6 8 1 0 0 0 0
8 23 1 4 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
7 15 1 0 0 0 0
11 20 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
3 21 2 0 0 0 0
5 22 2 0 0 0 0
7 23 2 0 0 0 0
S SKP 5
ID LBF18303HP04
FORMULA C19H32O4
EXACTMASS 324.23005951199997
AVERAGEMASS 324.45498
SMILES CCC=CCC=CCC(OO)C=CCCCCCCC(=O)OC
M END
