Mol:LBF20503HO09
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 |
| − | -3.5846 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5846 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1721 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1721 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3471 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3471 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3471 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3471 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1721 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1721 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6335 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6335 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9199 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9199 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6335 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6335 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9199 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9199 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0949 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0949 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0949 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0949 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6188 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6188 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3324 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3324 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6188 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6188 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3324 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3324 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0460 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0460 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1574 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1574 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8710 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8710 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5846 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5846 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4882 0.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4882 0.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7583 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7583 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7583 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7583 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4727 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4727 -0.1107 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 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 |
| − | 10 14 1 0 0 0 0 | + | 10 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 |
| − | 13 17 2 0 0 0 0 | + | 13 17 2 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 |
| − | 10 20 1 1 0 0 0 | + | 10 20 1 1 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20503HO09 | + | ID LBF20503HO09 |
| − | FORMULA C20H30O3 | + | FORMULA C20H30O3 |
| − | EXACTMASS 318.21949482599996 | + | EXACTMASS 318.21949482599996 |
| − | AVERAGEMASS 318.4504 | + | AVERAGEMASS 318.4504 |
| − | SMILES C(CC=CCC=CCC=CC=CC(CCCC(O)=O)O)=CCC | + | SMILES C(CC=CCC=CCC=CC=CC(CCCC(O)=O)O)=CCC |
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
-3.5846 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0949 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6188 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6188 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0460 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8710 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4882 0.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4727 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
7 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
10 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
13 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
10 20 1 1 0 0 0
16 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20503HO09
FORMULA C20H30O3
EXACTMASS 318.21949482599996
AVERAGEMASS 318.4504
SMILES C(CC=CCC=CCC=CC=CC(CCCC(O)=O)O)=CCC
M END
