Mol:LBF22406SC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 0 0 0 0 0 0999 V2000 | + | 24 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.8802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4523 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4523 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0573 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0573 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4523 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4523 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3302 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3302 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3127 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3127 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8727 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8727 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4052 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4052 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9652 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9652 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5527 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5527 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1127 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1127 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3548 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3548 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7398 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7398 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1798 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1798 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6748 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6748 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0598 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0598 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4723 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4723 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9123 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9123 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3798 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3798 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8198 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8198 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2323 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2323 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6448 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6448 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0573 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0573 -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 2 0 0 0 0 | + | 9 10 2 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 2 0 0 0 0 | + | 12 13 2 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 2 0 0 0 0 | + | 15 16 2 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 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF22406SC01 | + | ID LBF22406SC01 |
| − | FORMULA C22H36O2 | + | FORMULA C22H36O2 |
| − | EXACTMASS 332.271530396 | + | EXACTMASS 332.271530396 |
| − | AVERAGEMASS 332.52004000000005 | + | AVERAGEMASS 332.52004000000005 |
| − | SMILES C(CCC(O)=O)CCC=CCC=CCC=CCC=CCCCCC | + | SMILES C(CCC(O)=O)CCC=CCC=CCC=CCC=CCCCCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
3.8802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4523 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0573 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4523 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3302 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3127 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4052 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9652 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5527 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3548 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7398 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1798 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6748 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0598 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4723 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9123 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3798 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8198 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2323 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6448 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0573 -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 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
15 14 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
20 19 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
23 24 1 0 0 0 0
S SKP 5
ID LBF22406SC01
FORMULA C22H36O2
EXACTMASS 332.271530396
AVERAGEMASS 332.52004000000005
SMILES C(CCC(O)=O)CCC=CCC=CCC=CCC=CCCCCC
M END
