Mol:LBF18207OX01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 20 0 0 1 0 0 0 0 0999 V2000 | + | 21 20 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.1905 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1905 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0880 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0880 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0880 2.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0880 2.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8846 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8846 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4721 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4721 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6471 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6471 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2346 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2346 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9668 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9668 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3793 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3793 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9668 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9668 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3793 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3793 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9668 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9668 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3793 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3793 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9668 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9668 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7779 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7779 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1905 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1905 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1905 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1905 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 21 3 1 4 0 0 0 | + | 21 3 1 4 0 0 0 |
| − | 2 5 2 0 0 0 0 | + | 2 5 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 2 9 1 0 0 0 0 | + | 2 9 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 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 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 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 |
| − | 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 |
| − | 16 15 1 4 0 0 0 | + | 16 15 1 4 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 3 20 2 0 0 0 0 | + | 3 20 2 0 0 0 0 |
| − | 4 21 2 0 0 0 0 | + | 4 21 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18207OX01 | + | ID LBF18207OX01 |
| − | FORMULA C18H30O3 | + | FORMULA C18H30O3 |
| − | EXACTMASS 294.21949482599996 | + | EXACTMASS 294.21949482599996 |
| − | AVERAGEMASS 294.429 | + | AVERAGEMASS 294.429 |
| − | SMILES CCCCCC(=O)C=CC=CCCCCCCCC(O)=O | + | SMILES CCCCCC(=O)C=CC=CCCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-2.1905 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0880 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0880 2.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8846 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4721 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6471 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2346 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3793 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3793 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3793 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7779 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1905 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1905 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 20 1 0 0 0 0
21 3 1 4 0 0 0
2 5 2 0 0 0 0
1 6 1 0 0 0 0
2 9 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
4 10 1 0 0 0 0
10 11 1 0 0 0 0
11 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
16 15 1 4 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
3 20 2 0 0 0 0
4 21 2 0 0 0 0
S SKP 5
ID LBF18207OX01
FORMULA C18H30O3
EXACTMASS 294.21949482599996
AVERAGEMASS 294.429
SMILES CCCCCC(=O)C=CC=CCCCCCCCC(O)=O
M END
