Mol:LBF18107HO05
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 23 0 0 1 0 0 0 0 0999 V2000 | + | 24 23 0 0 1 0 0 0 0 0999 V2000 |
| − | -5.0498 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0498 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8761 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8761 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.9246 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9246 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2455 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2455 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6769 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6769 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8761 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8761 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6769 0.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6769 0.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2455 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2455 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8695 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8695 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2820 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2820 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2820 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2820 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8695 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8695 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4387 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4387 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0262 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0262 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2012 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2012 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7888 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7888 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3375 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3375 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7499 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7499 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5749 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5749 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9874 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9874 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8123 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8123 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2248 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2248 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0498 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0498 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9246 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9246 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 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 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 5 7 2 0 0 0 0 | + | 5 7 2 0 0 0 0 |
| − | 4 8 1 4 0 0 0 | + | 4 8 1 4 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 2 16 1 0 0 0 0 | + | 2 16 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 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 9 23 1 0 0 0 0 | + | 9 23 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 3 24 2 0 0 0 0 | + | 3 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18107HO05 | + | ID LBF18107HO05 |
| − | FORMULA C19H34O5 | + | FORMULA C19H34O5 |
| − | EXACTMASS 342.240624198 | + | EXACTMASS 342.240624198 |
| − | AVERAGEMASS 342.47026000000005 | + | AVERAGEMASS 342.47026000000005 |
| − | SMILES CCCCCC(O)C=CC(O)C(=O)CCCCCCCC(=O)OC | + | SMILES CCCCCC(O)C=CC(O)C(=O)CCCCCCCC(=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-5.0498 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.9246 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2455 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6769 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6769 0.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2455 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8695 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2820 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2820 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8695 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4387 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0262 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2012 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7888 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3375 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7499 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5749 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9874 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8123 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2248 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0498 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9246 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 24 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
5 7 2 0 0 0 0
4 8 1 4 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
1 13 1 0 0 0 0
2 16 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
5 17 1 0 0 0 0
9 23 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 2 0 0 0 0
S SKP 5
ID LBF18107HO05
FORMULA C19H34O5
EXACTMASS 342.240624198
AVERAGEMASS 342.47026000000005
SMILES CCCCCC(O)C=CC(O)C(=O)CCCCCCCC(=O)OC
M END
