Mol:FL2F1ANF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.4225 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7755 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7755 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4225 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5185 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5185 -0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 0.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 -1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 -0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 1.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3442 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0048 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 1.8102 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 2 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 3 1 0 0 0 0 7 11 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 9 12 1 6 0 0 0 15 18 1 0 0 0 0 4 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 5 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FL2F1ANF0001 KNApSAcK_ID C00011116 NAME Brosimacutin E CAS_RN 350221-49-7 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)CC(O2)C(C)(C)O)c1 M END