Mol:LBF18207HO05
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -4.7188 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7188 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4869 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4869 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.5354 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5354 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1728 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1728 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8518 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8518 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.4869 2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4869 2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8518 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8518 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3063 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3063 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7188 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7188 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7188 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7188 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0786 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0786 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6661 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6661 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8411 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8411 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7742 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7742 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1867 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1867 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7742 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7742 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1867 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1867 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7742 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7742 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1867 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1867 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7742 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7742 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5354 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5354 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1728 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1728 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 5 7 1 4 0 0 0 | + | 5 7 1 4 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 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 |
| − | 5 14 1 0 0 0 0 | + | 5 14 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 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 |
| − | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | 4 22 2 0 0 0 0 | + | 4 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18207HO05 | + | ID LBF18207HO05 |
| − | FORMULA C18H32O4 | + | FORMULA C18H32O4 |
| − | EXACTMASS 312.23005951199997 | + | EXACTMASS 312.23005951199997 |
| − | AVERAGEMASS 312.44428 | + | AVERAGEMASS 312.44428 |
| − | SMILES CCCCC(O)C=CC=CC(O)CCCCCCCC(O)=O | + | SMILES CCCCC(O)C=CC=CC(O)CCCCCCCC(O)=O |
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
-4.7188 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4869 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.5354 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1728 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 1.7308 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4869 2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3063 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7188 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7188 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0786 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6661 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8411 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5354 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1728 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 21 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
5 7 1 4 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
1 11 1 0 0 0 0
2 13 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
5 14 1 0 0 0 0
8 20 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
3 21 2 0 0 0 0
4 22 2 0 0 0 0
S SKP 5
ID LBF18207HO05
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCC(O)C=CC=CC(O)CCCCCCCC(O)=O
M END
