Mol:LBF20307PG21
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.2567 0.0067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.2567 0.0067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.2567 0.0067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.2567 0.0067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.0979 -0.5339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.0979 -0.5339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.6712 -1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6712 -1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5332 -1.5857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5332 -1.5857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.4367 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4367 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9367 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9367 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9367 0.8728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.9367 0.8728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.4367 1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4367 1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4367 1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4367 1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9367 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9367 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9367 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9367 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.4367 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.4367 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4154 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4154 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1423 -2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1423 -2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7972 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7972 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7567 -3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7567 -3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7162 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7162 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3710 -2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3710 -2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8400 -2.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8400 -2.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4367 0.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4367 0.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5133 -1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5133 -1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2807 -2.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2807 -2.8488 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 |
| − | 2 6 1 1 0 0 0 | + | 2 6 1 1 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 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 |
| − | 8 22 1 6 0 0 0 | + | 8 22 1 6 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 |
| − | 5 21 1 6 0 0 0 | + | 5 21 1 6 0 0 0 |
| − | 1 14 1 6 0 0 0 | + | 1 14 1 6 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 23 1 6 0 0 0 | + | 3 23 1 6 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 2 0 0 0 0 | + | 20 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20307PG21 | + | ID LBF20307PG21 |
| − | FORMULA C20H32O4 | + | FORMULA C20H32O4 |
| − | EXACTMASS 336.23005951199997 | + | EXACTMASS 336.23005951199997 |
| − | AVERAGEMASS 336.46567999999996 | + | AVERAGEMASS 336.46567999999996 |
| − | SMILES C(CC[C@H](O)C=C[C@@H]([C@H]12)[C@H]([C@@H](O)C2)CC=CCCCC(=O)O1)CC | + | SMILES C(CC[C@H](O)C=C[C@@H]([C@H]12)[C@H]([C@@H](O)C2)CC=CCCCC(=O)O1)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
3.2567 0.0067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2567 0.0067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0979 -0.5339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6712 -1.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5332 -1.5857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4367 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9367 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9367 0.8728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4367 1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4367 1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9367 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9367 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4367 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4154 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1423 -2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7972 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7567 -3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7162 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3710 -2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8400 -2.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4367 0.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5133 -1.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2807 -2.8488 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
2 6 1 1 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 22 1 6 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
5 21 1 6 0 0 0
1 14 1 6 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
3 23 1 6 0 0 0
20 23 1 0 0 0 0
20 24 2 0 0 0 0
S SKP 5
ID LBF20307PG21
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CC[C@H](O)C=C[C@@H]([C@H]12)[C@H]([C@@H](O)C2)CC=CCCCC(=O)O1)CC
M END
