Mol:EEL3006
Copyright: ARM project http://www.metabolome.jp/
94 94 0 0 0 0 0 0 0 0999 V2000 -11.5132 0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6039 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8897 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1753 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4607 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7463 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0320 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3176 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8886 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1743 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4598 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7455 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6414 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0070 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2926 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5782 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8637 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1494 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 -1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 -1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8897 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0320 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1743 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2926 -2.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 -2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6021 1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9665 0.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3556 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6965 -1.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7799 0.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5567 -0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9224 -1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2080 -1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7790 -1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0647 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3503 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 -1.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4927 -1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 -1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 -1.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -1.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9456 1.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3113 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5968 1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8825 0.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1679 1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 0.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9748 0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2079 -0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3501 -0.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4926 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5966 2.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -1.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3487 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3487 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 -0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4229 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9066 0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6219 1.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6417 -0.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8661 -1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1918 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6079 2.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9818 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3718 0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7133 1.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7951 -0.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4818 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1634 -2.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4818 1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1814 1.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4512 -0.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4819 -0.0898 0.0000 H 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 6 5 1 0 7 6 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 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 3 27 1 0 7 28 1 0 11 29 1 0 15 30 1 0 18 31 1 0 22 32 1 0 26 33 1 0 15 34 1 0 26 35 1 0 36 37 1 0 37 38 1 0 36 39 1 0 40 38 1 0 41 40 1 0 42 41 1 0 43 42 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 48 47 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 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 39 55 1 0 42 66 1 0 46 67 1 0 50 68 1 0 54 69 1 0 57 70 1 0 61 71 1 0 65 72 1 0 54 73 1 0 65 74 1 0 34 74 1 0 35 73 1 0 75 76 1 0 21 76 1 0 22 77 1 0 79 80 1 0 61 78 1 0 60 80 1 0 76 81 1 0 77 82 1 0 82 81 1 0 79 83 1 0 83 78 1 0 80 84 1 0 85 86 1 0 86 87 1 0 85 88 1 0 16 88 1 0 1 87 1 0 85 89 1 0 89 90 1 0 36 91 1 0 91 92 1 0 36 93 1 0 85 94 1 0
S SKP 6 AUTODRAW FALSE ID EEL3006 FORMULA C86H172O6 EXACTMASS 1301.315393236 AVERAGEMASS 1302.28228 SMILES C(C1)CC(CCOC(COCCC(CCCC(C)CCCC(CCCC(C)CCC(CCCC(C)CCCC(C)CCCC(CCOC(COCCC(CCCC(C)CCCC(CCCC(C)CCC(CCCC(C)CCCC(C)1)C)C)C)([H])CO)C)C)C)C)([H])CO)C M END
