Mol:FLIF1LNF0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -1.8894 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8894 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7768 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7768 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2205 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3358 -0.4174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3358 0.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2205 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8919 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8919 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4867 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0815 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0815 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4867 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2205 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8921 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4666 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1055 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3667 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1055 2.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1055 2.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0815 -1.4252 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 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 14 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 27 28 M SBL 3 1 31 M SMT 3 CH2OH M SVB 3 31 -3.0329 2.201 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 33 M SMT 2 OCH3 M SVB 2 33 2.3185 -1.6315 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 1.0693 -1.9402 S SKP 8 ID FLIF1LNF0007 KNApSAcK_ID C00009576 NAME Dihydroamorphigenin;22,23-Dihydro-24-hydroxyrotenone CAS_RN 38510-58-6 FORMULA C23H24O7 EXACTMASS 412.152203122 AVERAGEMASS 412.43246 SMILES c(c14)cc(O5)c(CC5C(CO)C)c1OC(C(C(=O)4)3)COc(c23)cc(OC)c(c2)OC M END