Mol:LBF12203JA01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 15 0 0 1 0 0 0 0 0999 V2000 | + | 15 15 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.2536 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2536 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4286 -0.8401 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.4286 -0.8401 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.1742 -0.0564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.1742 -0.0564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.8425 0.4276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.8425 0.4276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.5108 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5108 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8425 1.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8425 1.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4592 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4592 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2558 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2558 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0808 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0808 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7958 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7958 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5108 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5108 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7136 -1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7136 -1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0014 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0014 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0014 -0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0014 -0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7159 -1.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7159 -1.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 6 1 6 0 0 0 | + | 4 6 1 6 0 0 0 |
| − | 3 7 1 1 0 0 0 | + | 3 7 1 1 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 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 |
| − | 2 12 1 1 0 0 0 | + | 2 12 1 1 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12203JA01 | + | ID LBF12203JA01 |
| − | FORMULA C12H20O3 | + | FORMULA C12H20O3 |
| − | EXACTMASS 212.141244506 | + | EXACTMASS 212.141244506 |
| − | AVERAGEMASS 212.28539999999998 | + | AVERAGEMASS 212.28539999999998 |
| − | SMILES CCC=CCC(C(O)1)C(CC1)CC(O)=O | + | SMILES CCC=CCC(C(O)1)C(CC1)CC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
-2.2536 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4286 -0.8401 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1742 -0.0564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8425 0.4276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.5108 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 1.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4592 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2558 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0808 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7958 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5108 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7136 -1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0014 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0014 -0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7159 -1.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
4 6 1 6 0 0 0
3 7 1 1 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
2 12 1 1 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
S SKP 5
ID LBF12203JA01
FORMULA C12H20O3
EXACTMASS 212.141244506
AVERAGEMASS 212.28539999999998
SMILES CCC=CCC(C(O)1)C(CC1)CC(O)=O
M END
