Mol:LBF18207PG01
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 24 24 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.5878 0.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.5878 0.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.2788 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2788 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 -1.0728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.0878 -1.0728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.8968 -0.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8968 -0.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.5878 0.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5878 0.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.1756 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1756 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7688 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7688 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3566 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3566 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9499 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9499 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5377 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5377 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 -0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 -0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0558 -1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0558 -1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0068 -2.0812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.0068 -2.0812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.2147 -3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2147 -3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1658 -3.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1658 -3.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3737 -4.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3737 -4.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3248 -4.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3248 -4.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5327 -5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5327 -5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 -2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 -2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7743 2.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7743 2.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7500 -1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7500 -1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5322 4.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5322 4.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1309 5.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1309 5.6337 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 |
| − | 1 19 1 6 0 0 0 | + | 1 19 1 6 0 0 0 |
| − | 3 20 1 6 0 0 0 | + | 3 20 1 6 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 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | 4 11 1 1 0 0 0 | + | 4 11 1 1 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 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 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 13 22 1 6 0 0 0 | + | 13 22 1 6 0 0 0 |
| − | 10 23 1 0 0 0 0 | + | 10 23 1 0 0 0 0 |
| − | 10 24 2 0 0 0 0 | + | 10 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18207PG01 | + | ID LBF18207PG01 |
| − | FORMULA C18H30O6 | + | FORMULA C18H30O6 |
| − | EXACTMASS 342.204238692 | + | EXACTMASS 342.204238692 |
| − | AVERAGEMASS 342.42719999999997 | + | AVERAGEMASS 342.42719999999997 |
| − | SMILES [C@@H]([C@@H](CC(=O)CCC(O)=O)1)(C=C[C@H](O)CCCCC)[C@H](O)C[C@@H]1O | + | SMILES [C@@H]([C@@H](CC(=O)CCC(O)=O)1)(C=C[C@H](O)CCCCC)[C@H](O)C[C@@H]1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
2.5878 0.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2788 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -1.0728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8968 -0.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5878 0.4660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1756 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3566 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9499 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5377 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 -0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 -1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 -2.0812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2147 -3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1658 -3.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3737 -4.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3248 -4.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5327 -5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7743 2.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 -1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5322 4.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1309 5.6337 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
1 19 1 6 0 0 0
3 20 1 6 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
7 21 2 0 0 0 0
4 11 1 1 0 0 0
11 12 2 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
17 18 1 0 0 0 0
13 22 1 6 0 0 0
10 23 1 0 0 0 0
10 24 2 0 0 0 0
S SKP 5
ID LBF18207PG01
FORMULA C18H30O6
EXACTMASS 342.204238692
AVERAGEMASS 342.42719999999997
SMILES [C@@H]([C@@H](CC(=O)CCC(O)=O)1)(C=C[C@H](O)CCCCC)[C@H](O)C[C@@H]1O
M END
