Mol:LBF19000BC01
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 |
| − | -4.5073 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5073 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0902 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0902 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6732 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6732 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9243 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9243 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3413 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3413 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7582 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7582 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1752 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1752 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5923 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5923 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0093 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0093 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4263 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4263 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1568 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1568 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7398 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7398 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3241 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3241 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9071 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9071 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4901 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4901 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0731 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0731 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6562 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6562 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2391 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2391 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9568 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9568 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9596 -1.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9596 -1.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6732 0.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6732 0.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0902 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0902 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 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 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 |
| − | 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 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 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF19000BC01 | + | ID LBF19000BC01 |
| − | FORMULA C20H40O2 | + | FORMULA C20H40O2 |
| − | EXACTMASS 312.302830524 | + | EXACTMASS 312.302830524 |
| − | AVERAGEMASS 312.53040000000004 | + | AVERAGEMASS 312.53040000000004 |
| − | SMILES C(CCCCCCCCC(O)=O)CCCCCCCC(C)C | + | SMILES C(CCCCCCCCC(O)=O)CCCCCCCC(C)C |
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
-4.5073 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0902 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6732 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9243 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1752 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4263 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1568 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7398 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9071 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4901 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6562 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2391 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9568 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9596 -1.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6732 0.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0902 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
4 1 1 0 0 0 0
4 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 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
15 14 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
19 21 2 0 0 0 0
2 22 1 0 0 0 0
S SKP 5
ID LBF19000BC01
FORMULA C20H40O2
EXACTMASS 312.302830524
AVERAGEMASS 312.53040000000004
SMILES C(CCCCCCCCC(O)=O)CCCCCCCC(C)C
M END
