Mol:LBF18107MO01
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 |
| − | -5.2534 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2534 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0507 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.0507 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.0992 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0992 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4201 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4201 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5896 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5896 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.0507 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0507 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6133 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6133 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2008 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2008 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3758 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3758 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9634 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9634 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0732 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0732 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4857 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4857 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4857 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4857 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5896 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5896 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3040 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3040 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4201 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4201 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2943 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2943 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5412 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5412 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9536 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9536 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7786 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7786 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1911 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1911 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0160 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0160 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4285 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4285 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2534 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2534 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0992 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0992 -0.3572 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 |
| − | 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 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 5 14 1 0 0 0 0 | + | 5 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 4 16 1 0 0 0 0 | + | 4 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 5 18 1 4 0 0 0 | + | 5 18 1 4 0 0 0 |
| − | 11 24 1 0 0 0 0 | + | 11 24 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 LBF18107MO01 | + | ID LBF18107MO01 |
| − | FORMULA C20H38O5 | + | FORMULA C20H38O5 |
| − | EXACTMASS 358.271924326 | + | EXACTMASS 358.271924326 |
| − | AVERAGEMASS 358.51272 | + | AVERAGEMASS 358.51272 |
| − | SMILES C(CCC(O)C=CC(C(OC)CCCCCCCC(O)=O)OC)CC | + | SMILES C(CCC(O)C=CC(C(OC)CCCCCCCC(O)=O)OC)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
-5.2534 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0507 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.0992 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4201 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5896 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0507 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6133 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2008 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3758 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9634 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0732 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4857 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4857 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5896 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3040 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4201 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2943 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5412 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9536 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7786 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1911 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0160 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4285 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2534 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0992 -0.3572 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
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
11 12 2 0 0 0 0
11 13 1 0 0 0 0
5 14 1 0 0 0 0
14 15 1 0 0 0 0
4 16 1 0 0 0 0
16 17 1 0 0 0 0
5 18 1 4 0 0 0
11 24 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
21 22 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 LBF18107MO01
FORMULA C20H38O5
EXACTMASS 358.271924326
AVERAGEMASS 358.51272
SMILES C(CCC(O)C=CC(C(OC)CCCCCCCC(O)=O)OC)CC
M END
