Mol:EEL0159
Copyright: ARM project http://www.metabolome.jp/
106110 0 0 0 0 0 0 0 0999 V2000
11.4035 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 -0.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7280 -2.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9450 -2.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6471 0.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8052 -2.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1709 -3.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4565 -2.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7421 -3.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0276 -2.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3133 -3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3598 -1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 -1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 -1.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2165 -1.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4981 -1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8128 0.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1785 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 0.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0353 0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 2.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6118 1.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8974 2.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1828 1.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5316 2.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4564 -1.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3596 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4982 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4639 1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3259 3.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5317 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4891 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4891 1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 -1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 -2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8564 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 -2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 -1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5481 -1.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7541 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9855 1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8392 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0567 3.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6123 0.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9167 3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2828 3.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5682 3.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8540 3.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1392 3.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4252 3.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7564 2.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0417 1.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9221 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2881 -0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5733 -0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8592 -0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1445 -0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4305 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4345 -1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7205 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0058 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2914 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5768 -1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5674 2.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4698 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5726 -1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4338 -2.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 -2.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2176 -2.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1687 -1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1692 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8833 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5982 -0.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5977 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2536 2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2541 3.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9681 3.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6831 3.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6826 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6586 1.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 -1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 1.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2124 -1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3926 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3305 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2054 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3804 -2.6456 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.3804 -1.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3804 -3.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5554 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2792 -0.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -0.2644 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 0.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9291 -0.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -1.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7541 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 5 1 0 6 4 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 5 17 1 0 8 28 1 0 12 29 1 0 16 30 1 0 19 31 1 0 23 32 1 0 27 33 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 34 38 1 0 23 34 1 0 22 37 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 39 43 1 0 11 42 1 0 12 39 1 0 2 44 1 0 45 46 1 0 46 47 1 0 47 48 1 0 46 49 1 0 50 48 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 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 66 65 1 0 68 67 1 0 69 68 1 0 70 69 1 0 71 70 1 0 49 61 1 0 52 72 1 0 56 73 1 0 60 74 1 0 63 75 1 0 67 76 1 0 71 77 1 0 45 78 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 79 83 1 0 67 79 1 0 66 82 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 55 87 1 0 56 84 1 0 46 89 1 0 60 90 1 0 71 91 1 0 27 92 1 0 16 93 1 0 91 93 1 0 90 92 1 0 78 94 1 0 94 95 1 0 96 97 1 0 97 98 2 0 97 99 2 0 97100 1 0 95 96 1 0
101102 1 0 102103 2 0 102104 1 0 102105 1 0 104106 1 0
1101 1 0
A 94 Gal A 95 Glc A 106 Ino S SKP 6 AUTODRAW FALSE ID EEL0159 FORMULA C89H171O13PS EXACTMASS 1511.217802758 AVERAGEMASS 1512.3420009999998 SMILES C(C51)CC(C(CCCC(CCC(CCCC(C(C2)CCC2CCCC(CCOC(COCCC(CCCC(C3)CCC(C(CCCC(CCC(CCCC(C)C(C4)CC(CCCC(CCOC([H])(COP(O)(=O)OC)COCCC(C)CCC5)C)C4)C)C)C)3)C)([H])COCCOS(O)(=O)=O)C)C)C)C)C)C1 M END
