Mol:EEL1007
Copyright: ARM project http://www.metabolome.jp/
96103 0 0 0 0 0 0 0 0999 V2000 4.0029 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2885 -1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 -1.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 2.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 2.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 2.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 2.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1449 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 3.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1114 3.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7031 2.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7031 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4169 0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1321 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1321 2.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7856 -1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7856 -2.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4994 -2.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2146 -2.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2146 -1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2733 3.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6394 3.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9248 3.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2107 3.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4959 3.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7819 3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8273 2.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1132 2.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6844 2.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 2.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7913 -1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3626 -1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6482 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9240 2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8266 1.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7906 -2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 -2.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9549 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9544 -0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6103 2.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6108 3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3248 3.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0398 3.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0393 2.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2554 2.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3971 2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4307 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8521 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8521 0.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 -0.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2811 0.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2811 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9956 -0.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7099 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0924 0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0924 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3786 1.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6634 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6634 0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8072 1.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5213 1.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7438 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1338 2.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4753 3.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5571 1.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2850 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7191 -0.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2439 2.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9008 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8916 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -2.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -3.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6639 -3.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3791 -3.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3791 -2.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3413 -3.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7698 -0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1471 -2.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2798 -3.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5558 -0.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2850 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9847 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 -1.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0831 -3.1307 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 78 79 1 0 74 80 1 0 79 81 1 0 25 76 1 0 77 73 1 0 81 82 1 0 83 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 83 87 1 0 23 83 1 0 86 88 1 0 89 90 1 0 90 91 1 0 89 92 1 0 89 93 1 0 93 94 1 0 89 95 1 0 66 92 1 0 88 96 1 0 91 96 1 0
A 81 Gal A 82 Glc S SKP 6 AUTODRAW FALSE ID EEL1007 FORMULA C88H162O6 EXACTMASS 1315.237142916 AVERAGEMASS 1316.2242800000001 SMILES C(C6)(C5)C(CCCC(CCC(CCCC(C(C1)CCC1C(C2)CC(CCOC(COCCC(C8)CC(C8)C(C7)CC(C7)C(CCCC(CCC(C)CCCC(C(C3)CCC(C(C4)CCC4CCOC(COCC)(COCCC(C)CCCC5C6)[H])3)C)C)C)(CO)[H])C2)C)C)C)C M END
