Mol:LBF18107HO01
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 24 0 0 1 0 0 0 0 0999 V2000 | + | 25 24 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.2823 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2823 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1086 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1086 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5511 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5511 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4735 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4735 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.1028 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1028 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4735 2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4735 2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6712 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6712 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2587 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2587 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4338 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4338 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0213 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0213 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8698 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8698 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2823 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2823 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2823 0.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2823 0.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3668 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3668 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7793 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7793 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3668 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3668 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7793 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7793 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3668 -1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3668 -1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7793 -2.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7793 -2.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3668 -2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3668 -2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9799 2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9799 2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2655 2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2655 2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5511 2.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5511 2.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 4 3 1 4 0 0 0 | + | 4 3 1 4 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 2 6 1 4 0 0 0 | + | 2 6 1 4 0 0 0 |
| − | 5 7 1 4 0 0 0 | + | 5 7 1 4 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 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 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
| − | 5 15 1 0 0 0 0 | + | 5 15 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 4 24 1 0 0 0 0 | + | 4 24 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 2 0 0 0 0 | + | 3 25 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18107HO01 | + | ID LBF18107HO01 |
| − | FORMULA C20H38O5 | + | FORMULA C20H38O5 |
| − | EXACTMASS 358.271924326 | + | EXACTMASS 358.271924326 |
| − | AVERAGEMASS 358.51272 | + | AVERAGEMASS 358.51272 |
| − | SMILES C(CCC(O)C=CC(C(O)CCCCCCCC(O)=O)OCC)CC | + | SMILES C(CCC(O)C=CC(C(O)CCCCCCCC(O)=O)OCC)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-4.2823 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1086 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5511 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4735 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1028 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4735 2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6712 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2587 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4338 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0213 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8698 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2823 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2823 0.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 -1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 -2.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 -2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9799 2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2655 2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5511 2.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 25 1 0 0 0 0
4 3 1 4 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
5 7 1 4 0 0 0
1 8 1 0 0 0 0
2 11 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
12 13 2 0 0 0 0
12 14 1 0 0 0 0
5 15 1 0 0 0 0
12 21 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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
4 24 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
3 25 2 0 0 0 0
S SKP 5
ID LBF18107HO01
FORMULA C20H38O5
EXACTMASS 358.271924326
AVERAGEMASS 358.51272
SMILES C(CCC(O)C=CC(C(O)CCCCCCCC(O)=O)OCC)CC
M END
