Mol:EEL0179
Copyright: ARM project http://www.metabolome.jp/
96 99 0 0 0 0 0 0 0 0999 V2000 -13.0128 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4018 0.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7907 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1313 2.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2151 0.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4045 1.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9916 1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3573 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9285 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2140 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4997 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7852 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0709 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6419 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9277 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2132 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7843 2.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3810 -0.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7466 -0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0321 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3178 -0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6034 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8891 -0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 -1.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1801 -1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4656 -1.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7509 -1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -1.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7852 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9277 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0321 -1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 -2.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -2.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3555 2.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 -1.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7176 -2.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0128 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4844 -0.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3373 -2.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5543 -2.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2565 0.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4145 -2.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7803 -3.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0659 -2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3515 -3.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -2.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9227 -3.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9694 -1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 -1.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 -1.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4222 0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7879 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0734 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3591 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6447 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9304 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9357 2.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 2.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 2.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0658 -1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 -0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0732 1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9355 3.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 3.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 -1.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7174 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0881 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0881 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 -0.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 0.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0985 0.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0985 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -1.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -2.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 -3.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 -2.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 -1.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1575 -1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8926 -2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8305 -2.0655 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 6 1 0 2 5 1 0 7 4 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 16 15 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 27 26 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 5 22 1 0 9 33 1 0 13 34 1 0 17 35 1 0 21 36 1 0 24 37 1 0 28 38 1 0 32 39 1 0 21 40 1 0 32 41 1 0 1 42 1 0 43 44 1 0 44 45 1 0 45 46 1 0 44 47 1 0 48 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 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 47 59 1 0 50 70 1 0 54 71 1 0 58 72 1 0 61 73 1 0 65 74 1 0 69 75 1 0 58 76 1 0 69 77 1 0 43 78 1 0 40 77 1 0 41 76 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 79 83 1 0 27 80 1 0 28 83 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 65 84 1 0 64 87 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 89 93 1 0 53 92 1 0 54 89 1 0 44 94 1 0 42 95 1 0 95 96 1 0
A 95 Glc A 96 Glc S SKP 6 AUTODRAW FALSE ID EEL0179 FORMULA C88H170O6 EXACTMASS 1323.299743172 AVERAGEMASS 1324.2878 SMILES C(C2)CC(CCCC(C)CCCC(C)CCOCC(COCC)(OCCC(CCCC(C1)CCC1C(C)CCCC(C)CCC(C)CCCC(C(C4)CC(C4)CCCC(CCOCC([H])(CO)OCCC(C)CCCC(C3)CC(C3)C(CCCC(CCC2C)C)C)C)C)C)[H])C M END
