Mol:LBF35000SC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 36 0 0 0 0 0 0 0 0999 V2000 5.0009 0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4322 0.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5709 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 0.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4322 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4322 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 -1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2584 -1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5681 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 -1.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7824 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0797 -1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6119 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3976 -0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7891 -0.7844 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 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 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 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 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 S SKP 5 ID LBF35000SC01 FORMULA C35H70O2 EXACTMASS 522.537581484 AVERAGEMASS 522.9291 SMILES OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC M END
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