Mol:LBF20406HO05
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 25 0 0 1 0 0 0 0 0999 V2000 | + | 26 25 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.3890 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3890 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8656 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8656 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1853 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1853 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7731 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7731 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9489 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9489 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5367 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5367 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3712 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3712 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3712 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3712 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0851 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0851 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4341 0.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.4341 0.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.4341 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4341 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7203 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7203 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7891 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7891 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2013 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2013 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2013 -0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2013 -0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1526 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1526 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5647 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5647 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3890 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3890 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 23 3 1 0 0 0 0 | + | 23 3 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 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 |
| − | 6 11 1 0 0 0 0 | + | 6 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 |
| − | 3 14 1 0 0 0 0 | + | 3 14 1 0 0 0 0 |
| − | 14 4 1 4 0 0 0 | + | 14 4 1 4 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 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 |
| − | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 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 |
| − | 2 23 2 0 0 0 0 | + | 2 23 2 0 0 0 0 |
| − | 4 24 2 0 0 0 0 | + | 4 24 2 0 0 0 0 |
| − | 5 25 2 0 0 0 0 | + | 5 25 2 0 0 0 0 |
| − | 6 26 2 0 0 0 0 | + | 6 26 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406HO05 | + | ID LBF20406HO05 |
| − | FORMULA C20H32O6 | + | FORMULA C20H32O6 |
| − | EXACTMASS 368.219888756 | + | EXACTMASS 368.219888756 |
| − | AVERAGEMASS 368.46448 | + | AVERAGEMASS 368.46448 |
| − | SMILES C(CC=CCC(OO)C=CC=CC=CC(OO)CCCC(O)=O)CCC | + | SMILES C(CC=CCC(OO)C=CC=CC=CC(OO)CCCC(O)=O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 25 0 0 1 0 0 0 0 0999 V2000
-3.3890 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8656 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1853 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7731 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9489 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5367 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3712 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3712 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0851 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4341 0.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4341 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7203 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7891 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2013 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2013 -0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1526 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5647 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3890 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23 3 1 0 0 0 0
24 25 1 0 0 0 0
5 26 1 0 0 0 0
1 7 1 0 0 0 0
2 10 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
6 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
3 14 1 0 0 0 0
14 4 1 4 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
11 20 1 0 0 0 0
17 22 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 2 0 0 0 0
4 24 2 0 0 0 0
5 25 2 0 0 0 0
6 26 2 0 0 0 0
S SKP 5
ID LBF20406HO05
FORMULA C20H32O6
EXACTMASS 368.219888756
AVERAGEMASS 368.46448
SMILES C(CC=CCC(OO)C=CC=CC=CC(OO)CCCC(O)=O)CCC
M END
