Mol:LBF161nnPG01
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 23 0 0 0 0 0 0 0 0999 V2000 | + | 23 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.5878 1.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 1.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2788 0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2788 0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 0.1230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.0878 0.1230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.8968 0.7108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8968 0.7108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.5878 1.6619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5878 1.6619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.1756 2.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1756 2.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7688 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7688 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0558 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0558 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0068 -0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0068 -0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2147 -1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2147 -1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1658 -2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1658 -2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3737 -3.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3737 -3.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3248 -3.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3248 -3.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5327 -4.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5327 -4.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3566 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3566 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 -0.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 -0.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7500 -0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7500 -0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7895 -5.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7895 -5.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4837 -4.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4837 -4.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3511 4.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3511 4.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9499 5.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9499 5.1070 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 6 0 0 0 | + | 5 6 1 6 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 3 17 1 6 0 0 0 | + | 3 17 1 6 0 0 0 |
| − | 4 8 1 1 0 0 0 | + | 4 8 1 1 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 |
| − | 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 |
| − | 1 18 2 0 0 0 0 | + | 1 18 2 0 0 0 0 |
| − | 10 19 2 0 0 0 0 | + | 10 19 2 0 0 0 0 |
| − | 7 16 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 15 21 2 0 0 0 0 | + | 15 21 2 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 16 23 2 0 0 0 0 | + | 16 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF161nnPG01 | + | ID LBF161nnPG01 |
| − | FORMULA C16H24O7 | + | FORMULA C16H24O7 |
| − | EXACTMASS 328.152203122 | + | EXACTMASS 328.152203122 |
| − | AVERAGEMASS 328.35756000000003 | + | AVERAGEMASS 328.35756000000003 |
| − | SMILES OC(=O)CCCCC(=O)CC[C@@H]([C@H](O)1)[C@@H](CCC(O)=O)C(=O)C1 | + | SMILES OC(=O)CCCCC(=O)CC[C@@H]([C@H](O)1)[C@@H](CCC(O)=O)C(=O)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000
2.5878 1.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 0.1230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8968 0.7108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5878 1.6619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1756 2.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 -0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2147 -1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1658 -2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3737 -3.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3248 -3.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5327 -4.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3566 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -0.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 -0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7895 -5.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4837 -4.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3511 4.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9499 5.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 6 0 0 0
6 7 1 0 0 0 0
3 17 1 6 0 0 0
4 8 1 1 0 0 0
8 9 1 0 0 0 0
9 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
1 18 2 0 0 0 0
10 19 2 0 0 0 0
7 16 1 0 0 0 0
15 20 1 0 0 0 0
15 21 2 0 0 0 0
16 22 1 0 0 0 0
16 23 2 0 0 0 0
S SKP 5
ID LBF161nnPG01
FORMULA C16H24O7
EXACTMASS 328.152203122
AVERAGEMASS 328.35756000000003
SMILES OC(=O)CCCCC(=O)CC[C@@H]([C@H](O)1)[C@@H](CCC(O)=O)C(=O)C1
M END
