Mol:LBF20407HO01
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 |
| − | -3.3923 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3923 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7218 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7218 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0561 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0561 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4051 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4051 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0275 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0275 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5184 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5184 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5184 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5184 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2329 1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2329 1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3725 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3725 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3725 -0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3725 -0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0871 -1.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0871 -1.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1547 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1547 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5672 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5672 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3923 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3923 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1884 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1884 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7758 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7758 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9508 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9508 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5382 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5382 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7918 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7918 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2044 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2044 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2044 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2044 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7218 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7218 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0561 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0561 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0275 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0275 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 25 1 0 0 0 0 | + | 4 25 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 7 2 1 4 0 0 0 | + | 7 2 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 |
| − | 10 13 1 0 0 0 0 | + | 10 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 15 14 1 4 0 0 0 | + | 15 14 1 4 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | 7 19 1 0 0 0 0 | + | 7 19 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 2 23 2 0 0 0 0 | + | 2 23 2 0 0 0 0 |
| − | 3 24 2 0 0 0 0 | + | 3 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 LBF20407HO01 | + | ID LBF20407HO01 |
| − | FORMULA C20H32O6 | + | FORMULA C20H32O6 |
| − | EXACTMASS 368.219888756 | + | EXACTMASS 368.219888756 |
| − | AVERAGEMASS 368.46448 | + | AVERAGEMASS 368.46448 |
| − | SMILES C(CCC(OO)C=CC=CCC=CC=CC(OO)CCCC(O)=O)CC | + | SMILES C(CCC(OO)C=CC=CCC=CC=CC(OO)CCCC(O)=O)CC |
M END | M END | ||
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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
-3.3923 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7218 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0561 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4051 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5184 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5184 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2329 1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3725 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3725 -0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0871 -1.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1547 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5672 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3923 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1884 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7758 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9508 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5382 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7918 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2044 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2044 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7218 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0561 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6931 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23 24 1 0 0 0 0
3 4 1 0 0 0 0
4 25 1 0 0 0 0
5 26 1 0 0 0 0
7 2 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
10 13 1 0 0 0 0
13 14 1 0 0 0 0
15 14 1 4 0 0 0
1 16 1 0 0 0 0
7 19 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
2 23 2 0 0 0 0
3 24 2 0 0 0 0
5 25 2 0 0 0 0
6 26 2 0 0 0 0
S SKP 5
ID LBF20407HO01
FORMULA C20H32O6
EXACTMASS 368.219888756
AVERAGEMASS 368.46448
SMILES C(CCC(OO)C=CC=CCC=CC=CC(OO)CCCC(O)=O)CC
M END
