Mol:LBF29000SC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 30 0 0 0 0 0 0 0 0999 V2000 3.5723 0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 0.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4273 0.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 -1.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6121 -0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9095 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1945 -0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 -0.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6435 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3475 -1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 -1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4815 -0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 -1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 -0.9618 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 S SKP 5 ID LBF29000SC01 FORMULA C29H58O2 EXACTMASS 438.44368110000005 AVERAGEMASS 438.76962 SMILES C(CCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCC M END
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