Mol:LBF18203HP01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 25 0 0 1 0 0 0 0 0999 V2000 | + | 25 25 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.6053 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6053 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3102 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3102 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1319 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1319 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2303 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2303 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5831 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5831 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4393 1.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4393 1.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0020 1.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0020 1.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0259 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0259 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0258 1.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0258 1.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7499 2.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7499 2.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4391 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4391 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8571 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8571 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4391 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4391 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8571 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8571 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4391 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4391 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8571 -2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8571 -2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4391 -2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4391 -2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1874 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1874 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6053 0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6053 0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6053 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6053 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1874 2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1874 2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9569 1.4370 0.0000 C 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 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 4 0 0 0 | + | 5 6 1 4 0 0 0 |
| − | 7 6 1 4 0 0 0 | + | 7 6 1 4 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 7 10 1 0 0 0 0 | + | 7 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 |
| − | 10 13 1 4 0 0 0 | + | 10 13 1 4 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 |
| − | 3 24 2 0 0 0 0 | + | 3 24 2 0 0 0 0 |
| − | 4 25 2 0 0 0 0 | + | 4 25 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18203HP01 | + | ID LBF18203HP01 |
| − | FORMULA C19H32O6 | + | FORMULA C19H32O6 |
| − | EXACTMASS 356.219888756 | + | EXACTMASS 356.219888756 |
| − | AVERAGEMASS 356.45378 | + | AVERAGEMASS 356.45378 |
| − | SMILES C(O1)(CC(C=CC=CCC)O1)C(OO)CCCCCCCC(=O)OC | + | SMILES C(O1)(CC(C=CC=CCC)O1)C(OO)CCCCCCCC(=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 1 0 0 0 0 0999 V2000
-2.6053 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3102 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1319 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2303 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5831 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4393 1.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0020 1.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0259 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0258 1.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7499 2.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 -2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4391 -2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6053 0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6053 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7789 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9569 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 24 1 0 0 0 0
3 25 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 4 0 0 0
7 6 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
7 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
10 13 1 4 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
3 24 2 0 0 0 0
4 25 2 0 0 0 0
S SKP 5
ID LBF18203HP01
FORMULA C19H32O6
EXACTMASS 356.219888756
AVERAGEMASS 356.45378
SMILES C(O1)(CC(C=CC=CCC)O1)C(OO)CCCCCCCC(=O)OC
M END
