Mol:LBF18206SC02
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 20 19 0 0 0 0 0 0 0 0999 V2000 | + | 20 19 0 0 0 0 0 0 0 0999 V2000 |
− | 3.6823 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6823 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2955 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2955 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0105 -0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0105 -0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2955 0.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2955 0.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1873 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1873 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5108 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5108 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9126 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9126 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2348 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2348 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6848 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6848 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1623 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1623 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3740 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3740 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8717 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8717 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4080 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4080 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9071 0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9071 0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4434 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4434 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9411 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9411 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4774 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4774 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9765 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9765 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5127 -0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5127 -0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0105 0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0105 0.1739 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 |
− | 1 5 1 0 0 0 0 | + | 1 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 2 0 0 0 0 | + | 7 8 2 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 2 0 0 0 0 | + | 15 14 2 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 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF18206SC02 | + | ID LBF18206SC02 |
− | FORMULA C18H32O2 | + | FORMULA C18H32O2 |
− | EXACTMASS 280.240230268 | + | EXACTMASS 280.240230268 |
− | AVERAGEMASS 280.44548000000003 | + | AVERAGEMASS 280.44548000000003 |
− | SMILES CCCCCC=CCCCCCC=CCCCC(O)=O | + | SMILES CCCCCC=CCCCCCC=CCCCC(O)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 20 19 0 0 0 0 0 0 0 0999 V2000 3.6823 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0105 -0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 0.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9126 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2348 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1623 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9071 0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4434 -0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9411 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4774 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9765 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 -0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0105 0.1739 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 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 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 2 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 S SKP 5 ID LBF18206SC02 FORMULA C18H32O2 EXACTMASS 280.240230268 AVERAGEMASS 280.44548000000003 SMILES CCCCCC=CCCCCCC=CCCCC(O)=O M END