Mol:FLIC1LNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.7270 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 1.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3463 1.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6616 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 0.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6606 0.3696 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 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 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 17 1 1 0 0 0 0 14 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 16 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 -4.2308 3.0108 S SKP 8 ID FLIC1LNI0004 KNApSAcK_ID C00010033 NAME Millinol B;(3R)-7,4'-Dihydroxy-2'-methoxy-6-(1,1-dimethylallyl)isoflavan CAS_RN 121747-85-1 FORMULA C21H24O4 EXACTMASS 340.167459256 AVERAGEMASS 340.41285999999997 SMILES C=CC(c(c1)c(O)cc(O2)c(CC(c(c3)c(cc(O)c3)OC)C2)1)(C)C M END