Mol:FLIAALNI0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.4083 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2957 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2957 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 0.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 -1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 0.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 -1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1106 -2.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -1.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 0.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 -1.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -2.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 2.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9642 2.4924 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 1 2 1 0 0 0 0 1 17 1 0 0 0 0 7 18 2 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 3 22 1 0 0 0 0 2 23 1 0 0 0 0 16 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 6 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 S SKP 8 ID FLIAALNI0020 KNApSAcK_ID C00009941 NAME Euchrenone b5;5,7,2'-Trihydroxy-4',5'-methylenedioxy-6,8-diprenylisoflavone CAS_RN 121795-47-9 FORMULA C26H26O7 EXACTMASS 450.167853186 AVERAGEMASS 450.48043999999993 SMILES O(c21)COc(cc(C(=C4)C(=O)c(c(O4)3)c(c(c(O)c3CC=C(C)C)CC=C(C)C)O)c(O)c2)1 M END