Mol:FL4DAANC0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -0.8988 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 1.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4055 0.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 0.3347 0.0000 O 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 8 19 1 1 0 0 0 16 20 1 0 0 0 0 6 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 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 23 1 0 0 0 0 26 29 1 0 0 0 0 S SKP 8 ID FL4DAANC0002 KNApSAcK_ID C00008657 NAME Gericudranin E CAS_RN 172104-07-3 FORMULA C22H18O7 EXACTMASS 394.10525293 AVERAGEMASS 394.37412000000006 SMILES c(c4)c(ccc4O)Cc(c1O)c(cc(O2)c1C(C(C(c(c3)ccc(c3)O)2)O)=O)O M END
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