Mol:EEL3058
Copyright: ARM project http://www.metabolome.jp/
97 97 0 0 0 0 0 0 0 0999 V2000 -11.5126 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6033 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8893 1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1749 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4603 1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7459 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0317 1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3173 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8883 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7454 1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6408 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0066 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2922 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5778 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8633 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1491 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6566 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8893 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0317 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2922 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -1.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -1.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6021 1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 -0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9658 0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3549 -0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6958 -0.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7793 1.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5561 -0.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9218 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2075 -0.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4933 -1.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7786 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0643 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6357 -1.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9211 -0.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2068 -1.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4924 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9450 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3108 1.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5964 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8821 1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1675 1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4535 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6888 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2074 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3498 0.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5962 2.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 2.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -1.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3484 -1.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3484 -0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1355 -0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9063 1.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6216 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6414 -0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6076 2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9811 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3711 0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7126 1.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7945 -0.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4811 -1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1627 -2.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4811 1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1807 2.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4506 0.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4813 0.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3377 -2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2756 -2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2135 -2.5743 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 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 90 95 1 0 95 96 1 0 96 97 1 0
A 95 Glc A 96 Glc A 97 Glc S SKP 6 AUTODRAW FALSE ID EEL3058 FORMULA C89H178O6 EXACTMASS 1343.362343428 AVERAGEMASS 1344.36202 SMILES C(C1)(CCOCC(OCCC(C)CCCC(CCCC(C)CCCC(C)CCC(C)CCCC(CCCC(CCCC(C)CCOCC(COCCC)([H])OCCC(CCCC(C)CCCC(CCCC(CCC(C)CCCC(CCCC(C)CC1)C)C)C)C)C)C)C)([H])CO)C M END
