Mol:LBF20307PG22
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.5433 1.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5433 1.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5092 1.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5092 1.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5615 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5615 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.6279 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6279 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9986 2.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.9986 2.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8362 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8362 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4751 1.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4751 1.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1822 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1822 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4410 -0.4680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.4410 -0.4680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8362 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8362 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5773 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5773 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4410 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4410 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5433 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5433 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5092 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5092 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4751 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4751 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4002 3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4002 3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1822 -1.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1822 -1.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9751 -3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9751 -3.0071 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 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 3 21 1 1 0 0 0 | + | 3 21 1 1 0 0 0 |
| − | 1 6 1 1 0 0 0 | + | 1 6 1 1 0 0 0 |
| − | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 5 20 1 1 0 0 0 | + | 5 20 1 1 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 6 1 0 0 0 0 | + | 11 6 1 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 10 17 1 0 0 0 0 | + | 10 17 1 0 0 0 0 |
| − | 9 22 1 6 0 0 0 | + | 9 22 1 6 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 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 2 0 0 0 0 | + | 19 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20307PG22 | + | ID LBF20307PG22 |
| − | FORMULA C19H30O4 | + | FORMULA C19H30O4 |
| − | EXACTMASS 322.21440944799997 | + | EXACTMASS 322.21440944799997 |
| − | AVERAGEMASS 322.4391 | + | AVERAGEMASS 322.4391 |
| − | SMILES [C@@H]([C@@H]21)(CC=CCCC(=O)O[C@@H](CCCCC)C=C2)[C@@H](O)C[C@H]1O | + | SMILES [C@@H]([C@@H]21)(CC=CCCC(=O)O[C@@H](CCCCC)C=C2)[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/
23 24 0 0 0 0 0 0 0 0999 V2000
3.5433 1.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5092 1.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5615 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6279 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9986 2.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8362 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4751 1.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1822 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4410 -0.4680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8362 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5773 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4410 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5433 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5092 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4751 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4002 3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1822 -1.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9751 -3.0071 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
5 1 1 0 0 0 0
3 21 1 1 0 0 0
1 6 1 1 0 0 0
2 7 1 6 0 0 0
7 8 2 0 0 0 0
9 8 1 0 0 0 0
5 20 1 1 0 0 0
10 11 2 0 0 0 0
11 6 1 0 0 0 0
9 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
15 16 1 0 0 0 0
10 17 1 0 0 0 0
9 22 1 6 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 22 1 0 0 0 0
19 23 2 0 0 0 0
S SKP 5
ID LBF20307PG22
FORMULA C19H30O4
EXACTMASS 322.21440944799997
AVERAGEMASS 322.4391
SMILES [C@@H]([C@@H]21)(CC=CCCC(=O)O[C@@H](CCCCC)C=C2)[C@@H](O)C[C@H]1O
M END
