Mol:FLIC1LNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.0045 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3728 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5588 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 0.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -0.1289 0.0000 C 0 0 0 0 0 0 0 0 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 1 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 1 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 11 2 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 12 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 ^OCH3 M SBV 1 26 -5.9117 3.7901 S SKP 8 ID FLIC1LNI0001 KNApSAcK_ID C00009727 NAME 2'-O-Methylphaseollidinisoflavan CAS_RN 56257-28-4 FORMULA C21H24O4 EXACTMASS 340.167459256 AVERAGEMASS 340.41285999999997 SMILES C(c(c1OC)c(ccc(C(C2)Cc(c3)c(cc(O)c3)O2)1)O)C=C(C)C M END