Mol:LBF22000BC01
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 |
− | -5.3818 -0.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -5.3818 -0.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -5.9648 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9648 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.5477 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.5477 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7988 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7988 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2158 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2158 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6327 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6327 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0498 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0498 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4668 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4668 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8838 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8838 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3008 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3008 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7177 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7177 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1348 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1348 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4496 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4496 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0326 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0326 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6156 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6156 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1985 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1985 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7816 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7816 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3646 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3646 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9476 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9476 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5306 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5306 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1135 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1135 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.8299 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8299 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.5477 -0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5477 -0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.8285 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8285 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3818 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3818 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 7 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 |
− | 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 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 15 14 1 0 0 0 0 | + | 15 14 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 |
− | 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 |
− | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
− | 1 25 1 4 0 0 0 | + | 1 25 1 4 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF22000BC01 | + | ID LBF22000BC01 |
− | FORMULA C23H46O2 | + | FORMULA C23H46O2 |
− | EXACTMASS 354.349780716 | + | EXACTMASS 354.349780716 |
− | AVERAGEMASS 354.61014000000006 | + | AVERAGEMASS 354.61014000000006 |
− | SMILES C(CCC(O)=O)CCCCCCCCCCCCCCCC(C)CC | + | SMILES C(CCC(O)=O)CCCCCCCCCCCCCCCC(C)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 -5.3818 -0.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9648 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5477 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7988 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2158 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6327 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4496 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0326 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6156 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1985 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7816 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5306 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1135 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8299 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5477 -0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8285 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3818 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 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 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 1 25 1 4 0 0 0 S SKP 5 ID LBF22000BC01 FORMULA C23H46O2 EXACTMASS 354.349780716 AVERAGEMASS 354.61014000000006 SMILES C(CCC(O)=O)CCCCCCCCCCCCCCCC(C)CC M END