Mol:FLIG1LNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.8431 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 -0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 -0.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 -0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 0.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 -0.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 -0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 -1.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 -1.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -1.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5394 0.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 -1.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 0.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 1.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 1.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 2.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2876 2.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5046 2.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 -2.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 -2.4733 0.0000 C 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 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 14 18 1 0 0 0 0 9 19 1 0 0 0 0 19 16 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 13 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -6.6182 4.3672 S SKP 8 ID FLIG1LNI0006 KNApSAcK_ID C00010070 NAME 8-Dimethylallyllisetin;8-Prenyllisetin CAS_RN 126513-21-1 FORMULA C26H26O7 EXACTMASS 450.167853186 AVERAGEMASS 450.48043999999993 SMILES Oc(c12)cc(O)c(CC=C(C)C)c1Oc(o4)c(c(c43)cc(OC)c(c(CC=C(C)C)3)O)C2=O M END