Mol:FL2F1ANP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.3308 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6838 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6838 -0.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 0.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9778 -0.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9778 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -0.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 0.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 -1.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -0.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5769 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5769 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 1.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5442 0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5442 0.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 1.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 0.8177 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 22 1 0 0 0 0 22 5 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 S SKP 8 ID FL2F1ANP0006 KNApSAcK_ID C00011115 NAME Brosimacutin D CAS_RN 350221-48-6 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)CC(C(C)(C)O2)O)c1 M END