Mol:EEL1034
Copyright: ARM project http://www.metabolome.jp/
111114 0 0 0 0 0 0 0 0999 V2000
-13.0334 0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4224 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8113 2.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1520 2.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2357 0.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4251 1.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0122 2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3780 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6637 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9493 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2347 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5203 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8059 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0915 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3769 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 3.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4017 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7673 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0529 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3385 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9097 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 -0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 -0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6637 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8059 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0529 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -1.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -1.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3428 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0334 1.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4225 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1524 -0.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2358 1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4254 0.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0127 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3785 -0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6641 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9498 -0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 -0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 -0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3774 -0.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 -0.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9486 -0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2344 -0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 -0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0909 -0.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4017 1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0529 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 1.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9098 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 3.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2009 2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 3.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7717 2.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0574 3.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6640 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8061 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0527 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9148 3.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 3.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 2.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7380 2.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1088 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1088 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6797 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6797 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6488 2.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6488 1.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0779 1.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0779 2.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6400 -2.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6187 -2.9374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3510 -1.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6400 -3.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6187 -1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3510 -1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3348 -2.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4837 -1.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3544 -3.9066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3348 -3.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6400 -1.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4835 -0.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6059 -2.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7810 -2.9429 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7810 -2.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7810 -3.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7937 -2.9374 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 42 43 1 0 43 44 1 0 44 45 1 0 43 47 1 0 43 46 1 0 48 45 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 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 70 69 1 0 71 70 1 0 72 71 1 0 73 72 1 0 46 63 1 0 50 74 1 0 54 75 1 0 58 76 1 0 62 77 1 0 65 78 1 0 69 79 1 0 73 80 1 0 62 81 1 0 73 82 1 0 42 83 1 0 40 82 1 0 41 81 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 27 85 1 0 28 88 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 89 93 1 0 69 89 1 0 68 92 1 0
100 94 1 1
99 94 1 1 98100 1 1 98 95 1 0 99 96 1 0 94 97 1 0
101 98 1 0
99101 1 0 97102 1 0
100103 1 0
94104 1 0
101105 1 0
96 1 1 0
106107 1 0 107108 2 0 107109 2 0 107110 1 0
95111 1 0
111106 1 0 A 111 Glc S SKP 6 AUTODRAW FALSE ID EEL1034 FORMULA C93H180O15S EXACTMASS 1569.30429578 AVERAGEMASS 1570.4813000000001 SMILES CC(C3)CCCC(C(C4)CC(C4)CCCC(CCOC([H])(COCCC(CCCC(C)CCCC(CCCC(C)CCC(C)CCCC(C)C(C2)CCC(CCCC(C)CCOC([H])(CO)COCCC(C)CCCC(CCCC(CCCC(C3)C)C)C)2)C)C)COC(C1(CO)O)C(O)C(C(O)1)OCOS(O)(=O)=O)C)C M END
