Mol:FLIFWXNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 33 0 0 0 0 0 0 0 0999 V2000 -1.8722 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0883 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3496 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4094 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0501 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0987 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 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 2 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 2 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 2 0 0 0 0 23 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 13 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 32 M SMT 2 OCH3 M SVB 2 32 1.0865 -1.9402 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 30 M SMT 1 OCH3 M SVB 1 30 2.3356 -1.6315 S SKP 8 ID FLIFWXNF0003 KNApSAcK_ID C00009602 NAME Dehydrorotenone;Didehydrorotenone CAS_RN 30990-44-4 FORMULA C23H20O6 EXACTMASS 392.125988372 AVERAGEMASS 392.4013 SMILES c(c51)c(c(OC)cc(OCC(=C45)Oc(c23)c(C(=O)4)ccc2OC(C(C)=C)C3)1)OC M END