Mol:LBF20406HO06
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 25 0 0 1 0 0 0 0 0999 V2000 | + | 26 25 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.3702 1.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3702 1.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6525 3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6525 3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0342 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0342 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3831 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3831 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0644 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0644 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5114 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5114 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2677 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2677 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2677 0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2677 0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9823 -0.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9823 -0.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1326 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1326 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5452 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5452 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3702 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3702 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7698 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7698 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1823 1.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1823 1.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1823 0.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1823 0.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2108 1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2108 1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7537 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7537 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9287 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9287 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5250 -3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5250 -3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5800 1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5800 1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4963 1.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4963 1.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2108 2.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2108 2.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8925 3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8925 3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1208 2.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1208 2.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3831 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3831 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5114 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5114 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 26 5 1 4 0 0 0 | + | 26 5 1 4 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 5 1 4 0 0 0 | + | 7 5 1 4 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 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 12 11 1 4 0 0 0 | + | 12 11 1 4 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 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 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 |
| − | 20 2 1 4 0 0 0 | + | 20 2 1 4 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 |
| − | 2 23 2 0 0 0 0 | + | 2 23 2 0 0 0 0 |
| − | 3 24 2 0 0 0 0 | + | 3 24 2 0 0 0 0 |
| − | 4 25 2 0 0 0 0 | + | 4 25 2 0 0 0 0 |
| − | 6 26 2 0 0 0 0 | + | 6 26 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406HO06 | + | ID LBF20406HO06 |
| − | FORMULA C20H32O6 | + | FORMULA C20H32O6 |
| − | EXACTMASS 368.219888756 | + | EXACTMASS 368.219888756 |
| − | AVERAGEMASS 368.46448 | + | AVERAGEMASS 368.46448 |
| − | SMILES C(CCC(OO)C=CC=CC=CC(OO)CC=CCCCC(O)=O)CC | + | SMILES C(CCC(OO)C=CC=CC=CC(OO)CC=CCCCC(O)=O)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 25 0 0 1 0 0 0 0 0999 V2000
-3.3702 1.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6525 3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0342 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3831 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0644 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2677 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2677 0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9823 -0.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1326 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5452 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3702 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1823 1.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1823 0.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2108 1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7537 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9287 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5250 -3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5800 1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4963 1.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2108 2.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8925 3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1208 2.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3831 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23 24 1 0 0 0 0
3 25 1 0 0 0 0
26 5 1 4 0 0 0
4 7 1 0 0 0 0
7 5 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
6 10 1 0 0 0 0
10 11 1 0 0 0 0
12 11 1 4 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
1 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
20 2 1 4 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 2 0 0 0 0
3 24 2 0 0 0 0
4 25 2 0 0 0 0
6 26 2 0 0 0 0
S SKP 5
ID LBF20406HO06
FORMULA C20H32O6
EXACTMASS 368.219888756
AVERAGEMASS 368.46448
SMILES C(CCC(OO)C=CC=CC=CC(OO)CC=CCCCC(O)=O)CC
M END
