Mol:LBF18000BC06
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 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.6237 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6237 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4907 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4907 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7042 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7042 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7042 2.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7042 2.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5424 3.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5424 3.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7559 4.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7559 4.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8037 3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8037 3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3912 2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8037 1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8037 1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3912 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8037 0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8037 0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3912 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8037 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8037 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3912 -1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 -1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8037 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8037 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3912 -3.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 -3.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8037 -4.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8037 -4.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2112 3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2112 3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6237 3.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6237 3.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6237 2.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6237 2.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6278 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6278 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0445 3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0445 3.0919 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 |
| − | 3 4 1 4 0 0 0 | + | 3 4 1 4 0 0 0 |
| − | 5 6 1 4 0 0 0 | + | 5 6 1 4 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 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 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 5 1 0 0 0 0 | + | 22 5 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18000BC06 | + | ID LBF18000BC06 |
| − | FORMULA C20H40O2 | + | FORMULA C20H40O2 |
| − | EXACTMASS 312.302830524 | + | EXACTMASS 312.302830524 |
| − | AVERAGEMASS 312.53040000000004 | + | AVERAGEMASS 312.53040000000004 |
| − | SMILES C(C(CCCCCCCCCCCC(CCC(O)=O)C)C)C | + | SMILES C(C(CCCCCCCCCCCC(CCC(O)=O)C)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 1 0 0 0 0 0999 V2000
-3.6237 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4907 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7042 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7042 2.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5424 3.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7559 4.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 -2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -3.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 -4.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2112 3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6237 3.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6237 2.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6278 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0445 3.0919 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
3 4 1 4 0 0 0
5 6 1 4 0 0 0
3 7 1 0 0 0 0
5 17 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
18 19 2 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 5 1 0 0 0 0
S SKP 5
ID LBF18000BC06
FORMULA C20H40O2
EXACTMASS 312.302830524
AVERAGEMASS 312.53040000000004
SMILES C(C(CCCCCCCCCCCC(CCC(O)=O)C)C)C
M END
