Mol:LBF18109HO06
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 |
| − | -4.2535 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2535 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3027 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3027 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2928 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2928 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4154 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4154 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3027 2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3027 2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4154 2.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4154 2.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6424 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6424 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2298 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2298 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4049 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4049 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3379 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3379 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7504 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7504 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3379 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3379 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7504 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7504 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3379 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3379 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7504 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7504 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3379 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3379 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8410 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8410 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2535 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2535 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2535 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2535 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8410 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8410 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2928 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2928 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 2 6 2 0 0 0 0 | + | 2 6 2 0 0 0 0 |
| − | 3 7 1 4 0 0 0 | + | 3 7 1 4 0 0 0 |
| − | 5 8 1 4 0 0 0 | + | 5 8 1 4 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 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 |
| − | 5 13 1 0 0 0 0 | + | 5 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 |
| − | 19 18 1 4 0 0 0 | + | 19 18 1 4 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 4 24 2 0 0 0 0 | + | 4 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18109HO06 | + | ID LBF18109HO06 |
| − | FORMULA C19H34O5 | + | FORMULA C19H34O5 |
| − | EXACTMASS 342.240624198 | + | EXACTMASS 342.240624198 |
| − | AVERAGEMASS 342.47026000000005 | + | AVERAGEMASS 342.47026000000005 |
| − | SMILES CCCCCC(=O)C(O)C=CC(O)CCCCCCCC(=O)OC | + | SMILES CCCCCC(=O)C(O)C=CC(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
-4.2535 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3027 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2928 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4154 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3027 2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4154 2.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6424 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2298 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4049 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8410 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8410 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2928 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 24 1 0 0 0 0
4 5 1 0 0 0 0
2 6 2 0 0 0 0
3 7 1 4 0 0 0
5 8 1 4 0 0 0
1 9 1 0 0 0 0
2 12 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
5 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
19 18 1 4 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
4 24 2 0 0 0 0
S SKP 5
ID LBF18109HO06
FORMULA C19H34O5
EXACTMASS 342.240624198
AVERAGEMASS 342.47026000000005
SMILES CCCCCC(=O)C(O)C=CC(O)CCCCCCCC(=O)OC
M END
