Mol:FL2FALNP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 40 0 0 0 0 0 0 0 0999 V2000 -0.9612 -0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9612 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 -1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1514 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1514 -0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 -0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 -0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -2.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 -2.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 0.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5173 -0.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9612 0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5173 0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1738 0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0368 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6837 1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0204 2.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0045 1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 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 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 1 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 15 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 12 36 1 0 0 0 0 S SKP 8 ID FL2FALNP0007 KNApSAcK_ID C00008369 NAME Flemichin A CAS_RN 54302-59-9 FORMULA C30H32O6 EXACTMASS 488.219888756 AVERAGEMASS 488.57148 SMILES C(C=5)(CCC=C(C)C)(C)Oc(c4)c(C5)c(c(c(O)4)1)OC(c(c3)c(O)cc(c23)OC(C=C2)(C)C)CC(=O)1 M END