Mol:LBF18302HP01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 22 0 0 1 0 0 0 0 0999 V2000 | + | 23 22 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.9380 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9380 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6467 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6467 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8598 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8598 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3399 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3399 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4713 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4713 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9913 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9913 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8166 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8166 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8166 0.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8166 0.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1021 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1021 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2004 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2004 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2004 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2004 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2004 -2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2004 -2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 -2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 -2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5254 1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5254 1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9380 0.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9380 0.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9380 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9380 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5254 2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5254 2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6467 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6467 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3399 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3399 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9913 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9913 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 23 5 1 4 0 0 0 | + | 23 5 1 4 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 3 1 4 0 0 0 | + | 7 3 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 |
| − | 6 10 1 0 0 0 0 | + | 6 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 |
| − | 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 |
| − | 16 15 1 4 0 0 0 | + | 16 15 1 4 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 2 0 0 0 0 | + | 2 21 2 0 0 0 0 |
| − | 4 22 2 0 0 0 0 | + | 4 22 2 0 0 0 0 |
| − | 6 23 2 0 0 0 0 | + | 6 23 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18302HP01 | + | ID LBF18302HP01 |
| − | FORMULA C19H32O4 | + | FORMULA C19H32O4 |
| − | EXACTMASS 324.23005951199997 | + | EXACTMASS 324.23005951199997 |
| − | AVERAGEMASS 324.45498 | + | AVERAGEMASS 324.45498 |
| − | SMILES CC=CC(OO)CC=CCC=CCCCCCCCC(=O)OC | + | SMILES CC=CC(OO)CC=CCC=CCCCCCCCC(=O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-2.9380 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6467 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8598 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4713 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9913 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 0.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1021 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2004 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2004 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2004 -2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5254 1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 0.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5254 2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6467 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9913 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
23 5 1 4 0 0 0
2 7 1 0 0 0 0
7 3 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
6 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
13 14 1 0 0 0 0
14 15 1 0 0 0 0
16 15 1 4 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 2 0 0 0 0
4 22 2 0 0 0 0
6 23 2 0 0 0 0
S SKP 5
ID LBF18302HP01
FORMULA C19H32O4
EXACTMASS 324.23005951199997
AVERAGEMASS 324.45498
SMILES CC=CC(OO)CC=CCC=CCCCCCCCC(=O)OC
M END
