Mol:LBF20403SC01
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 0 0 0 0 0 0999 V2000 | + | 22 21 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.4677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0398 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0398 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6448 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6448 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0398 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0398 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9177 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9177 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8727 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8727 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4602 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4602 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0477 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0477 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6627 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6627 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1127 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1127 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2998 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2998 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6848 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6848 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2348 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2348 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6198 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6198 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0873 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0873 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5823 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5823 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9948 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9948 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4348 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4348 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8473 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8473 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2323 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2323 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6448 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6448 -0.6566 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 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 4 2 0 0 0 0 | + | 2 4 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 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 2 0 0 0 0 | + | 10 11 2 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 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 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 |
| − | 20 19 2 0 0 0 0 | + | 20 19 2 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20403SC01 | + | ID LBF20403SC01 |
| − | FORMULA C20H32O2 | + | FORMULA C20H32O2 |
| − | EXACTMASS 304.240230268 | + | EXACTMASS 304.240230268 |
| − | AVERAGEMASS 304.46688 | + | AVERAGEMASS 304.46688 |
| − | SMILES C(CC=CCC=CCC=CCCCCCCC(O)=O)=CCC | + | SMILES C(CC=CCC=CCC=CCCCCCCC(O)=O)=CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
3.4677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0398 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6448 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0398 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9177 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0477 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6627 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6848 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2348 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0873 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5823 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9948 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4348 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8473 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2323 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6448 -0.6566 0.0000 C 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
2 4 2 0 0 0 0
1 5 1 0 0 0 0
5 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 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
20 19 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20403SC01
FORMULA C20H32O2
EXACTMASS 304.240230268
AVERAGEMASS 304.46688
SMILES C(CC=CCC=CCC=CCCCCCCC(O)=O)=CCC
M END
