Mol:EEL3032
Copyright: ARM project http://www.metabolome.jp/
95 95 0 0 0 0 0 0 0 0999 V2000 -12.8766 -1.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6772 -1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2584 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7274 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3085 0.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4723 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5015 -0.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2488 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5344 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8202 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1057 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3913 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6769 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2481 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8191 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3904 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6761 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2472 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4673 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6382 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9237 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2094 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4951 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7807 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0663 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3519 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6374 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4941 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0654 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3509 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8202 1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2472 1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2094 -0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3519 -0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4941 -0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4623 2.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9314 1.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5126 0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9816 -0.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5627 -0.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7264 1.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7556 0.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5030 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7886 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0744 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3599 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9311 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5023 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7878 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3591 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6446 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9303 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2157 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9759 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8924 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1779 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4636 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7492 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0349 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3205 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6061 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8916 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4627 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0341 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3196 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8906 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0744 -2.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -2.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3591 -2.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 -2.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4636 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6061 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8906 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1818 0.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6904 -0.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9816 -1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 8 5 1 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 6 24 1 0 10 39 1 0 14 40 1 0 18 41 1 0 22 42 1 0 26 43 1 0 30 44 1 0 34 45 1 0 38 46 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 49 53 1 0 49 52 1 0 54 51 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 71 70 1 0 72 71 1 0 73 72 1 0 74 73 1 0 75 74 1 0 76 75 1 0 77 76 1 0 78 77 1 0 79 78 1 0 80 79 1 0 81 80 1 0 82 81 1 0 83 82 1 0 84 83 1 0 52 70 1 0 56 85 1 0 60 86 1 0 64 87 1 0 68 88 1 0 72 89 1 0 76 90 1 0 80 91 1 0 84 92 1 0 38 69 1 0 23 93 1 0 69 94 1 0 84 93 1 0 68 94 1 0 1 95 1 0
A 1 Glc A 95 Glc S SKP 6 AUTODRAW FALSE ID EEL3032 FORMULA C88H176O5 EXACTMASS 1313.3517787419999 AVERAGEMASS 1314.3360400000001 SMILES C(C1C)CCC(C)CCCC(C)CCCC(C)CCOC(COCCC(C)CCCC(C)CCCC(CCCC(C)CCC(C)CCCC(C)CCCC(CCCC(C)CCOC([H])(CO)COCCC(C)CCCC(CCCC(CCCC(CC1)C)C)C)C)C)([H])CCC M END
