Mol:LBF16110SC01
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 18 17 0 0 0 0 0 0 0 0999 V2000 | + | 18 17 0 0 0 0 0 0 0 0999 V2000 |
− | 3.8493 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8493 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4626 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4626 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1776 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1776 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4626 0.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4626 0.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2443 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2443 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6118 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6118 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9601 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9601 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2973 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2973 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6607 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6607 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0268 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0268 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5507 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5507 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2231 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2231 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8707 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8707 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5403 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5403 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1907 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1907 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8603 -0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8603 -0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5079 -0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5079 -0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1776 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1776 -0.5479 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 2 0 0 0 0 | + | 9 10 2 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 |
− | 14 15 1 0 0 0 0 | + | 14 15 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 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF16110SC01 | + | ID LBF16110SC01 |
− | FORMULA C16H30O2 | + | FORMULA C16H30O2 |
− | EXACTMASS 254.22458020399998 | + | EXACTMASS 254.22458020399998 |
− | AVERAGEMASS 254.4082 | + | AVERAGEMASS 254.4082 |
− | SMILES CCCCCCCCC=CCCCCCC(O)=O | + | SMILES CCCCCCCCC=CCCCCCC(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/ 18 17 0 0 0 0 0 0 0 0999 V2000 3.8493 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 0.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6118 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9601 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5507 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2231 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1907 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8603 -0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5079 -0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1776 -0.5479 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 2 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 14 15 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 S SKP 5 ID LBF16110SC01 FORMULA C16H30O2 EXACTMASS 254.22458020399998 AVERAGEMASS 254.4082 SMILES CCCCCCCCC=CCCCCCC(O)=O M END