Mol:EEL0160
Copyright: ARM project http://www.metabolome.jp/
106111 0 0 0 0 0 0 0 0999 V2000
9.1202 -2.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4859 -3.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7715 -2.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0571 -3.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3426 -2.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6749 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 -1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2461 -1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1829 -1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6412 2.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2126 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 1.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2164 2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7714 -1.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 3.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 3.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -2.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1715 -3.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 -2.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 -1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4248 -0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6700 1.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5237 2.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7412 3.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2968 0.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6012 3.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9674 3.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2528 3.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5386 3.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8238 3.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1098 3.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1552 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7264 1.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 2.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2975 1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6066 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9727 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2579 -0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5438 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8291 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1151 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1192 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4052 -1.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 -1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9761 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2520 2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 0.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2572 -1.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 -2.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 -2.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9021 -2.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8534 -1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8539 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2828 -0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2823 -1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9383 2.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9388 3.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6528 3.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3677 3.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3672 2.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3431 1.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 2.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5475 -1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8972 -1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0771 -2.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0150 -2.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5242 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5242 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2379 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 -0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1970 -2.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9905 -2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0876 -0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4767 -1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2902 -0.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4798 -1.8151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8486 -2.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0237 -2.6387 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.0237 -1.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0237 -3.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1987 -2.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9499 -0.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7749 -0.2656 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7749 0.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5998 -0.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7749 -1.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4248 -0.2656 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 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 3 17 1 0 7 18 1 0 11 19 1 0 12 20 1 0 16 21 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 22 26 1 0 12 22 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 27 31 1 0 6 30 1 0 7 27 1 0 32 33 1 0 33 34 1 0 34 35 1 0 33 36 1 0 37 35 1 0 38 37 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 36 48 1 0 39 59 1 0 43 60 1 0 47 61 1 0 50 62 1 0 54 63 1 0 58 64 1 0 32 65 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 66 70 1 0 54 66 1 0 53 69 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 71 75 1 0 42 74 1 0 43 71 1 0 33 76 1 0 47 77 1 0 58 78 1 0 16 79 1 0 11 80 1 0 78 80 1 0 77 79 1 0 65 81 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 25 83 1 0 86 88 1 0 88 89 1 0 1 90 1 0 90 91 1 0 92 93 1 0 93 95 1 0 93 94 1 0 89 94 1 0 91 93 1 0 96 97 1 0 97 98 2 0 97 99 2 0 97100 1 0 82 96 1 0
101102 1 0 102103 2 0 102104 1 0 102105 1 0 104106 1 0
92101 1 0
A 81 Gal A 82 Glc A 106 Ino S SKP 6 AUTODRAW FALSE ID EEL0160 FORMULA C89H169O13PS EXACTMASS 1509.202152694 AVERAGEMASS 1510.3261209999998 SMILES C(C([H])(O4)COCCC(C)CCCC(C1)CCC(C(CCCC(CCC(CCCC(C)C(C2)CCC2CCCC(C)CCOC(COCCOS(O)(=O)=O)(COCCC(C)CCCC(C6)CC(C6)C(CCCC(C)CCC(CCCC(C)C(C5)CC(C5)C(C3)CCC3CC4)C)C)[H])C)C)C)1)OP(OC)(O)=O M END
