Mol:LBF10102SC01
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 12 11 0 0 0 0 0 0 0 0999 V2000 | + | 12 11 0 0 0 0 0 0 0 0999 V2000 |
− | 1.9119 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9119 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5252 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5252 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2402 -0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2402 -0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5252 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5252 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3069 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3069 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6744 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6744 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0227 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0227 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6401 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6401 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2767 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2767 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9106 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9106 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5678 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5678 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2402 -0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2402 -0.6545 0.0000 C 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 |
− | 2 4 2 0 0 0 0 | + | 2 4 2 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 |
− | 1 5 1 0 0 0 0 | + | 1 5 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 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF10102SC01 | + | ID LBF10102SC01 |
− | FORMULA C10H18O2 | + | FORMULA C10H18O2 |
− | EXACTMASS 170.13067981999998 | + | EXACTMASS 170.13067981999998 |
− | AVERAGEMASS 170.24872 | + | AVERAGEMASS 170.24872 |
− | SMILES CC=CCCCCCCC(O)=O | + | SMILES CC=CCCCCCCC(O)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 12 11 0 0 0 0 0 0 0 0999 V2000 1.9119 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 -0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6744 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6401 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9106 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 -0.6545 0.0000 C 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 2 4 2 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 1 5 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 10 11 2 0 0 0 0 S SKP 5 ID LBF10102SC01 FORMULA C10H18O2 EXACTMASS 170.13067981999998 AVERAGEMASS 170.24872 SMILES CC=CCCCCCCC(O)=O M END