Mol:BMMCHC--m027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 53 54 0 0 1 0 0 0 0 0999 V2000 -2.7286 1.9684 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0142 2.3809 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7302 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4431 2.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4404 3.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1562 1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0142 3.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 3.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 3.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 2.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 -0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5873 -0.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 0.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7546 -0.1812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5796 -0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4691 1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 1.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 -0.8276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0108 0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 -0.5983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1222 0.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8379 0.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4338 0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1533 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8699 -2.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1561 -1.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4411 -2.0159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7272 -1.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -0.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9449 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 -2.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2999 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1876 -1.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 -1.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4262 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2497 -2.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4166 -3.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7102 -3.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 -3.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1699 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8379 -3.0576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0122 -2.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 1.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0211 2.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 4 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 1 4 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 4 0 0 0 10 11 1 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 14 1 1 0 0 0 16 17 1 1 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 25 23 1 1 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 2 0 0 0 0 35 40 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 43 2 0 0 0 0 42 43 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 0 0 0 0 33 50 1 0 0 0 0 50 39 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 11 51 1 0 0 0 0 S SKP 7 ID BMMCHC--m027 NAME Methanofuran FORMULA C34H44N4O15 EXACTMASS 748.2803 AVERAGEMASS 748.7311 SMILES N(C(CC[C@@H](NC(=O)CC[C@@H](NC(=O)CCC(C(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)=O)CCc(c1)ccc(OCc(c2)coc(CN)2)c1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00862 M END