Mol:EEL3066
Copyright: ARM project http://www.metabolome.jp/
94 94 0 0 0 0 0 0 0 0999 V2000 -11.7694 0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8602 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1460 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4316 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7170 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0026 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2883 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5739 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8594 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7162 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2874 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8977 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2633 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5489 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8345 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1200 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4057 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6275 -1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 -1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7699 -1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1460 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2883 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5489 -2.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6275 -2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7699 -2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 0.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0989 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4398 -1.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5232 0.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3000 -0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6657 -1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 -1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2370 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 -1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8081 -1.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0937 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 -1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9505 -1.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2361 -1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 -1.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 -1.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6889 1.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0546 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3401 1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6259 0.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1972 0.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4326 1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7183 0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5748 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9512 -0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0935 -0.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3399 2.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5746 2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -1.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3922 -0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1663 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3653 1.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8981 -0.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1225 -1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9352 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3513 2.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2380 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6280 0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9695 1.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0513 -0.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7380 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4196 -2.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7381 -0.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7380 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2848 -0.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3255 -1.9669 0.0000 O 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 85 91 1 0 37 92 1 0 37 93 1 0 92 94 1 0
S SKP 6 AUTODRAW FALSE ID EEL3066 FORMULA C86H172O6 EXACTMASS 1301.315393236 AVERAGEMASS 1302.28228 SMILES C(C(C)1)COC([H])(COCCC(C)CCCC(C)CCCC(CCCC(CCC(CCCC(CCCC(C)CCCC(C)CCOCC([H])(CO)OCCC(C)CCCC(CCCC(CCCC(C)CCC(C)CCCC(CCCC(C)CCC1)C)C)C)C)C)C)C)CO M END
