Mol:FLIC1LNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.1736 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1736 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5047 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 -0.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0516 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5047 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6077 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6077 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7488 0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7295 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5294 -2.6395 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 16 17 1 0 0 0 0 1 18 1 0 0 0 0 6 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 14 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 SVB 1 26 2.0343 -1.8458 S SKP 8 ID FLIC1LNI0005 KNApSAcK_ID C00010035 NAME 4'-O-Methylpreglabridin;(3S)-7,2'-Dihydroxy-4'-methoxy-8-prenylisoflavan CAS_RN 105072-18-2 FORMULA C21H24O4 EXACTMASS 340.167459256 AVERAGEMASS 340.41285999999997 SMILES c(c3)c(c(CC=C(C)C)c(c31)OCC(c(c2)c(cc(OC)c2)O)C1)O M END