Mol:FL4DACNC0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 38 42 0 0 0 0 0 0 0 0999 V2000 -0.8988 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -1.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 0.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4055 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 -1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 1.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 1.7900 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 17 30 1 0 0 0 0 5 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 35 38 1 0 0 0 0 S SKP 8 ID FL4DACNC0003 KNApSAcK_ID C00008661 NAME Gericudranin A CAS_RN 169592-15-8 FORMULA C29H24O9 EXACTMASS 516.142032366 AVERAGEMASS 516.49546 SMILES Oc(c1)c(O)ccc1C(C(O)2)Oc(c(Cc(c5)ccc(c5)O)4)c(c(c(c4O)Cc(c3)ccc(c3)O)O)C2=O M END