Mol:FL2FALNI0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -1.0639 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 0.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 1.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5838 1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 -1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 -2.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 -0.4840 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 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 2 18 1 0 0 0 0 19 15 1 0 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 2 0 0 0 0 21 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 16 27 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 17 31 1 0 0 0 0 27 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 6 36 1 0 0 0 0 S SKP 8 ID FL2FALNI0010 KNApSAcK_ID C00008477 NAME Lespedezaflavanone E CAS_RN 133538-69-9 FORMULA C30H36O6 EXACTMASS 492.251188884 AVERAGEMASS 492.60324 SMILES C(=C(C)C)Cc(c1O)c(O)ccc1C(O3)CC(c(c32)c(c(C=CC(C)C)c(O)c2CC=C(C)C)O)=O M END