Mol:EEL0166
Copyright: ARM project http://www.metabolome.jp/
116119 0 0 0 0 0 0 0 0999 V2000
-13.0332 0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4222 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8111 2.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1518 2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2355 0.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4249 1.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0121 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3779 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6636 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9492 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2346 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5202 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8058 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0914 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3768 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6624 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9481 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4016 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7672 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0528 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3384 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6239 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9096 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 -0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 -0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6636 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8058 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9481 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0528 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 -1.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -1.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3428 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0332 1.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4223 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8114 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1522 -0.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2356 1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4252 0.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0126 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3784 -0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6640 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9497 -0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 -0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5207 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8062 -0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0919 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 -0.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 -0.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 -0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2344 -0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 -0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0909 -0.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4016 1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7673 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3385 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6239 1.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9097 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 3.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2009 2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 3.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7717 2.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0574 3.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6639 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9484 0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0526 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9147 3.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 3.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 2.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1087 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1087 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3949 0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 2.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 1.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0778 1.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0778 2.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6398 -2.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6186 -2.9374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3508 -1.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6398 -3.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6186 -1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3508 -1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3347 -2.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4836 -1.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3542 -3.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3347 -3.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6398 -1.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4834 -0.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7323 2.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9175 2.7286 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.9175 3.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9175 1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0926 2.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2676 2.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5433 -2.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 -2.9427 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 -2.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 -3.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8934 -2.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7120 -2.9427 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 2 6 1 0 2 5 1 0 7 4 1 0 8 7 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 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 5 22 1 0 9 33 1 0 13 34 1 0 17 35 1 0 21 36 1 0 24 37 1 0 28 38 1 0 32 39 1 0 21 40 1 0 32 41 1 0 42 43 1 0 43 44 1 0 44 45 1 0 43 47 1 0 43 46 1 0 48 45 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 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 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 70 69 1 0 71 70 1 0 72 71 1 0 73 72 1 0 46 63 1 0 50 74 1 0 54 75 1 0 58 76 1 0 62 77 1 0 65 78 1 0 69 79 1 0 73 80 1 0 62 81 1 0 73 82 1 0 40 82 1 0 41 81 1 0 83 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 83 87 1 0 27 84 1 0 28 87 1 0 88 89 1 0 89 90 1 0 90 91 1 0 91 92 1 0 88 92 1 0 69 88 1 0 68 91 1 0 99 93 1 1 98 93 1 1 97 99 1 1 97 94 1 0 98 95 1 0 93 96 1 0
100 97 1 0
98100 1 0 96101 1 0 99102 1 0 93103 1 0
100104 1 0
95 1 1 0
105106 1 0 106107 2 0 106108 1 0 106109 1 0 109110 1 0
42105 1 0
111112 1 0 112113 2 0 112114 2 0 112115 1 0 111116 1 0 116 94 1 0 A 110 Ino A 116 Glc S SKP 6 AUTODRAW FALSE ID EEL0166 FORMULA C94H183O18PS EXACTMASS 1663.2862762519999 AVERAGEMASS 1664.4877809999998 SMILES C(C4)(C3C)CC(C4)CCCC(CCOC([H])(COCCC(C)CCCC(CCCC(CCCC(CCC(CCCC(C(C1)CC(CCCC(C)CCOC(COCCC(CCCC(C)CCCC(C)CCCC(CCC(CCC3)C)C)C)(COC(C(O)2)C(O)(CO)C(O)C2OCOS(O)(=O)=O)[H])C1)C)C)C)C)C)COP(OC)(O)=O)C M END
