Mol:LBF18108HO02
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 |
| − | -4.2826 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2826 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1088 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1088 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1572 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1572 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2055 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2055 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4736 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4736 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 1.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 1.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4736 1.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4736 1.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3670 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3670 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7795 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7795 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3670 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3670 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7795 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7795 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3670 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3670 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7795 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7795 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3670 -3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3670 -3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1586 1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1586 1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4441 2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4441 2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4441 3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4441 3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6715 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6715 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2589 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2589 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4340 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4340 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8701 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8701 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2826 1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2826 1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2826 0.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2826 0.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2055 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2055 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 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 |
| − | 5 8 1 0 0 0 0 | + | 5 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 |
| − | 14 13 1 4 0 0 0 | + | 14 13 1 4 0 0 0 |
| − | 3 15 1 4 0 0 0 | + | 3 15 1 4 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 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 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 4 25 2 0 0 0 0 | + | 4 25 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18108HO02 | + | ID LBF18108HO02 |
| − | FORMULA C20H38O5 | + | FORMULA C20H38O5 |
| − | EXACTMASS 358.271924326 | + | EXACTMASS 358.271924326 |
| − | AVERAGEMASS 358.51272 | + | AVERAGEMASS 358.51272 |
| − | SMILES OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC | + | SMILES OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC |
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
-4.2826 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1088 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1572 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4736 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 1.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4736 1.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7795 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7795 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7795 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 -3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1586 1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4441 2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4441 3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6715 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2589 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4340 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8701 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2826 1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2826 0.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 25 1 0 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
5 7 1 4 0 0 0
5 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
14 13 1 4 0 0 0
3 15 1 4 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
1 18 1 0 0 0 0
2 21 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
14 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
4 25 2 0 0 0 0
S SKP 5
ID LBF18108HO02
FORMULA C20H38O5
EXACTMASS 358.271924326
AVERAGEMASS 358.51272
SMILES OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC
M END
