Mol:FLIF1LNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.6288 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6288 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 0.6395 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5964 1.2819 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0401 1.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 -0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 1.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 1.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7398 -0.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7398 -1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2935 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0444 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 -0.3683 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 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 7 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 14 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 31 M SMT 2 OCH3 M SVB 2 31 2.579 -0.5746 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 1.3299 -0.8833 S SKP 8 ID FLIF1LNI0001 KNApSAcK_ID C00009573 NAME Myriconol CAS_RN - FORMULA C23H22O6 EXACTMASS 394.141638436 AVERAGEMASS 394.41718000000003 SMILES C(C42)(Oc(c(C4=O)3)cc(O)c(C=CCC=C)c3)COc(c21)cc(OC)c(OC)c1 M END