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 | ||
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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