Mol:LBF18000HO28
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | 3.8167 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8167 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3996 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3996 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0267 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0267 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6138 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6138 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0321 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0321 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2337 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2337 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6507 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6507 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0676 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0676 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4846 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4846 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9017 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9017 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3187 0.2914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3187 0.2914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2643 -0.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2643 -0.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.8749 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8749 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6233 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6233 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2066 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2066 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7900 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7900 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3733 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3733 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9796 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9796 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4471 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4471 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0305 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0305 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2820 -1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2820 -1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3187 1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3187 1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6138 0.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6138 0.1814 0.0000 O 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 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 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 |
| − | 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 |
| − | 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 |
| − | 12 21 1 4 0 0 0 | + | 12 21 1 4 0 0 0 |
| − | 11 22 1 4 0 0 0 | + | 11 22 1 4 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18000HO28 | + | ID LBF18000HO28 |
| − | FORMULA C18H36O5 | + | FORMULA C18H36O5 |
| − | EXACTMASS 332.256274262 | + | EXACTMASS 332.256274262 |
| − | AVERAGEMASS 332.47544 | + | AVERAGEMASS 332.47544 |
| − | SMILES OCCCCCCCCC(O)C(O)CCCCCCCC(O)=O | + | SMILES OCCCCCCCCC(O)C(O)CCCCCCCC(O)=O |
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
3.8167 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3996 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0267 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6138 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0321 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2337 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6507 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0676 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4846 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9017 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3187 0.2914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2643 -0.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.8749 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6233 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2066 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3733 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9796 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4471 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0305 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2820 -1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3187 1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6138 0.1814 0.0000 O 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 0 0 0 0
3 5 2 0 0 0 0
1 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
14 15 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
12 21 1 4 0 0 0
11 22 1 4 0 0 0
20 23 1 0 0 0 0
S SKP 5
ID LBF18000HO28
FORMULA C18H36O5
EXACTMASS 332.256274262
AVERAGEMASS 332.47544
SMILES OCCCCCCCCC(O)C(O)CCCCCCCC(O)=O
M END
