Mol:FL1DA9NC0015
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -6.3873 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3873 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6728 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6728 2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2439 2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5294 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5294 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6728 3.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 -0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -1.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 -1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 0.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -1.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0248 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4373 -0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6748 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4373 0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1551 -1.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6748 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6748 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 1.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9123 1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7373 1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1498 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3873 1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1498 2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9123 -2.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7373 -2.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1498 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7373 -0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9123 -0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 -3.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0248 1.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4373 1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 6 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 11 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 39 1 0 0 0 0 33 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 33 1 0 0 0 0 45 50 1 0 0 0 0 30 51 1 0 0 0 0 51 52 1 0 0 0 0 S SKP 8 ID FL1DA9NC0015 KNApSAcK_ID C00014642 NAME 2',4'-Dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone CAS_RN 192222-56-3 FORMULA C44H40O8 EXACTMASS 696.272318256 AVERAGEMASS 696.7836 SMILES COc(c3Cc(c4)c(ccc4Cc(c5)c(ccc5Cc(c6)c(O)ccc6)O)O)c(c(c(c(O)3)Cc(c2O)cccc2)O)C(=O)CCc(c1)cccc1 M END
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