Mol:EEL1031
Copyright: ARM project http://www.metabolome.jp/
111119 0 0 0 0 0 0 0 0999 V2000
4.0022 -0.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2878 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5733 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 2.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 2.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 2.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 2.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1443 -0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9683 3.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1108 3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4161 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1312 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1312 2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7848 -1.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7848 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4986 -2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2137 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2137 -1.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2733 3.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6395 3.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9249 3.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2108 3.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4961 3.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7821 3.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8276 2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1136 2.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 2.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 -1.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0777 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -1.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6487 -0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9341 -1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9241 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8269 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 -2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 -2.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5257 -0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5262 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2403 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9552 -0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9547 -0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6106 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6111 3.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3251 3.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0401 3.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0396 2.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 2.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3966 2.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4302 -1.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8512 0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8512 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 -0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2802 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2802 0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7089 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0925 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0925 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3788 1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6636 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6636 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8073 1.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5214 1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7438 1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1337 2.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4753 3.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5571 1.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2849 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2439 2.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9492 -2.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9492 -3.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6630 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3782 -3.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3782 -2.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3403 -3.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7687 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2787 -3.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5547 -0.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2849 0.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2535 -1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0821 -3.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8087 -2.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7873 -3.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5198 -1.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8087 -3.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7873 -2.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5198 -2.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5034 -2.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6523 -1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5232 -3.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5034 -3.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8087 -2.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6521 -0.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0730 -3.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6393 1.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8245 1.6593 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.8245 2.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8245 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9995 1.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1745 1.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 1 11 1 0 5 12 1 0 6 13 1 0 10 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 15 19 1 0 6 15 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 20 24 1 0 1 20 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 27 41 1 0 31 42 1 0 35 43 1 0 36 44 1 0 40 45 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 46 50 1 0 36 46 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 51 55 1 0 30 54 1 0 31 51 1 0 35 56 1 0 40 57 1 0 10 58 1 0 5 59 1 0 57 59 1 0 56 58 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 60 64 1 0 18 60 1 0 63 65 1 0 65 66 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 49 71 1 0 68 72 1 0 72 73 1 0 74 75 1 0 75 76 1 0 74 77 1 0 74 78 1 0 74 79 1 0 25 76 1 0 77 73 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 23 80 1 0 83 85 1 0 86 87 1 0 87 88 1 0 86 89 1 0 86 90 1 0 86 91 1 0 66 89 1 0 85 92 1 0 88 92 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
94105 1 0 95 78 1 0
106107 1 0 107108 2 0 107109 1 0 107110 1 0 110111 1 0
90106 1 0
A 105 Glc A 111 Ino S SKP 6 AUTODRAW FALSE ID EEL1031 FORMULA C94H173O14P EXACTMASS 1557.256296754 AVERAGEMASS 1558.344781 SMILES C(O5)CC(C1)CCC(C(C2)CCC(C(CCCC(C)CCC(C)CCCC(C)C(C3)CCC3CCCC(C)CCOCC(COC(C(O)9CO)C(C(C9O)OC)O)(OCCC(C8)CC(C8)C(C7)CC(C7)C(CCCC(CCC(C)CCCC(C(C4)CCC(C(C6)CC(C6)CCOCC(COP(O)(=O)OC)5[H])4)C)C)C)[H])C)2)1 M END
