Mol:FL2F1ANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.4224 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4224 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 0.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0795 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0795 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9225 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 1.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 0.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -1.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9225 0.2971 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 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 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 19 21 1 6 0 0 0 19 22 1 1 0 0 0 9 23 1 1 0 0 0 7 24 2 0 0 0 0 1 25 1 0 0 0 0 S SKP 8 ID FL2F1ANP0001 KNApSAcK_ID C00000935 NAME Abyssinone I CAS_RN 77263-07-1 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES c(c12)(ccc(C(C4)([H])Oc(c3C(=O)4)cc(O)cc3)c2)OC(C=C1)(C)C M END