Mol:LBF18203JA02
From Metabolomics.JP
(Difference between revisions)
(New page: <pre> Copyright: ARM project http://www.metabolome.jp/ 21 21 0 0 1 0 0 0 0 0999 V2000 -3.4957 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6707 -0.6463 ...) |
(New page: Copyright: ARM project http://www.metabolome.jp/ 21 21 0 0 1 0 0 0 0 0999 V2000 -3.4957 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6707 -0.6463 ...) |
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 21 0 0 1 0 0 0 0 0999 V2000 | + | 21 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.4957 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4957 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6707 -0.6463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6707 -0.6463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.0845 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0845 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7528 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7528 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7027 0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7027 0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9891 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9891 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9570 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9570 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2434 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2434 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5297 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5297 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1839 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1839 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8975 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8975 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6111 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6111 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3247 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3247 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1641 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1641 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5496 0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5496 0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2632 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2632 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4163 0.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4163 0.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.0845 1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0845 1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0383 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0383 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0383 0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0383 0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7528 -1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7528 -1.0587 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 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 4 2 0 0 0 0 | + | 1 4 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 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 |
| − | 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 |
| − | 6 14 2 0 0 0 0 | + | 6 14 2 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 |
| − | 17 5 1 1 0 0 0 | + | 17 5 1 1 0 0 0 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18203JA02 | + | ID LBF18203JA02 |
| − | FORMULA C18H28O3 | + | FORMULA C18H28O3 |
| − | EXACTMASS 292.203844762 | + | EXACTMASS 292.203844762 |
| − | AVERAGEMASS 292.41312 | + | AVERAGEMASS 292.41312 |
| − | SMILES C(CC=CCC)(C(=O)1)C(CCCCCCCC(O)=O)C=C1 | + | SMILES C(CC=CCC)(C(=O)1)C(CCCCCCCC(O)=O)C=C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 1 0 0 0 0 0999 V2000
-3.4957 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6707 -0.6463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0845 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7528 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7027 0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9891 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9570 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2434 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5297 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1839 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6111 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3247 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1641 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5496 0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2632 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4163 0.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0845 1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0383 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0383 0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7528 -1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 17 1 0 0 0 0
3 17 1 0 0 0 0
3 4 1 0 0 0 0
1 4 2 0 0 0 0
5 6 1 0 0 0 0
7 8 1 0 0 0 0
8 9 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
12 13 1 0 0 0 0
6 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 5 1 1 0 0 0
2 7 1 1 0 0 0
3 18 2 0 0 0 0
13 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
S SKP 5
ID LBF18203JA02
FORMULA C18H28O3
EXACTMASS 292.203844762
AVERAGEMASS 292.41312
SMILES C(CC=CCC)(C(=O)1)C(CCCCCCCC(O)=O)C=C1
M END
