Mol:FLIF1LNF0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -1.8722 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.4722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3530 0.1702 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2033 0.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 -1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 -0.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 -1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 0.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 1.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0883 1.1868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3496 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4094 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0501 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7931 2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 -1.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 -1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0987 -1.4801 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 23 25 1 0 0 0 0 23 26 1 0 0 0 0 13 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 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 2.3356 -1.6863 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 1.0865 -1.995 S SKP 8 ID FLIF1LNF0008 KNApSAcK_ID C00009577 NAME Dalpanol;6',7'-Dihydro-6'-hydroxyrotenone CAS_RN 30462-22-7 FORMULA C23H24O7 EXACTMASS 412.152203122 AVERAGEMASS 412.43246 SMILES c(c51)c(c(OC)cc(OCC(C45)Oc(c3C(=O)4)c(c(cc3)2)CC(C(C)(C)O)O2)1)OC M END