Mol:LBF18108HP02
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 1 0 0 0 0 0999 V2000 | + | 24 23 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.2826 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2826 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1088 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1088 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1572 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1572 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2055 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2055 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4736 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4736 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 2.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 2.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1572 2.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1572 2.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6715 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6715 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2589 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2589 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4340 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4340 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3670 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3670 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7795 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7795 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3670 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3670 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7795 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7795 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3670 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3670 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7795 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7795 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3670 -2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3670 -2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8701 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8701 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2826 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2826 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2826 0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2826 0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4736 2.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4736 2.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1881 2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1881 2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2055 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2055 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 5 4 1 4 0 0 0 | + | 5 4 1 4 0 0 0 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 3 7 1 4 0 0 0 | + | 3 7 1 4 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 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 |
| − | 5 12 1 0 0 0 0 | + | 5 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 17 1 4 0 0 0 | + | 18 17 1 4 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 4 24 2 0 0 0 0 | + | 4 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18108HP02 | + | ID LBF18108HP02 |
| − | FORMULA C18H34O6 | + | FORMULA C18H34O6 |
| − | EXACTMASS 346.23553882 | + | EXACTMASS 346.23553882 |
| − | AVERAGEMASS 346.45896 | + | AVERAGEMASS 346.45896 |
| − | SMILES CCCCCC(O)C(O)C=CC(OO)CCCCCCCC(O)=O | + | SMILES CCCCCC(O)C(O)C=CC(OO)CCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-4.2826 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1088 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1572 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4736 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 2.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1572 2.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6715 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2589 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4340 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7795 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7795 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7795 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 -2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8701 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2826 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2826 0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4736 2.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1881 2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 24 1 0 0 0 0
5 4 1 4 0 0 0
2 6 1 4 0 0 0
3 7 1 4 0 0 0
1 8 1 0 0 0 0
2 11 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
5 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 17 1 4 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
4 24 2 0 0 0 0
S SKP 5
ID LBF18108HP02
FORMULA C18H34O6
EXACTMASS 346.23553882
AVERAGEMASS 346.45896
SMILES CCCCCC(O)C(O)C=CC(OO)CCCCCCCC(O)=O
M END
