Mol:LBF10105BC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 17 0 0 0 0 0 0 0 0999 V2000 | + | 18 17 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1418 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1418 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9455 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9455 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5177 1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5177 1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4873 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4873 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4767 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4767 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9731 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9731 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9625 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9625 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4873 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4873 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4767 -0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4767 -0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1481 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1481 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7542 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7542 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9731 0.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9731 0.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9132 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9132 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5195 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5195 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7319 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7319 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2252 1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2252 1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 2 4 1 0 0 0 0 | + | 2 4 1 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 8 6 1 0 0 0 0 | + | 8 6 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 7 11 1 0 0 0 0 | + | 7 11 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
| − | 1 15 1 0 0 0 0 | + | 1 15 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 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 |
| − | 1 18 2 0 0 0 0 | + | 1 18 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF10105BC01 | + | ID LBF10105BC01 |
| − | FORMULA C16H30O2 | + | FORMULA C16H30O2 |
| − | EXACTMASS 254.22458020399998 | + | EXACTMASS 254.22458020399998 |
| − | AVERAGEMASS 254.4082 | + | AVERAGEMASS 254.4082 |
| − | SMILES CC(C)CCC=C(CCCC(O)=O)CCC(C)C | + | SMILES CC(C)CCC=C(CCCC(O)=O)CCC(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
-0.1418 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9455 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5177 1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4873 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4767 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9731 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9625 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4873 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4767 -0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1481 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7542 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9731 0.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9132 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5195 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7319 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2252 1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 18 1 0 0 0 0
1 3 1 0 0 0 0
2 4 1 0 0 0 0
3 5 1 0 0 0 0
4 6 1 0 0 0 0
5 7 1 0 0 0 0
8 6 1 0 0 0 0
7 9 1 0 0 0 0
6 10 1 0 0 0 0
7 11 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
1 15 1 0 0 0 0
12 17 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
1 18 2 0 0 0 0
S SKP 5
ID LBF10105BC01
FORMULA C16H30O2
EXACTMASS 254.22458020399998
AVERAGEMASS 254.4082
SMILES CC(C)CCC=C(CCCC(O)=O)CCC(C)C
M END
