Mol:EEL1022
Copyright: ARM project http://www.metabolome.jp/
106113 0 0 0 0 0 0 0 0999 V2000
10.3826 -2.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7484 -2.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0340 -2.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3196 -2.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6051 -2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8908 -2.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5086 -1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0798 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 2.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 2.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 2.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0463 2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0339 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9373 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0797 -0.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 3.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 3.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3516 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0668 1.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0668 2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7203 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7203 -2.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4341 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1493 -2.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1493 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3383 3.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7045 3.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9899 3.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2757 3.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5609 3.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8469 3.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8924 2.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1783 2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4636 2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 2.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0348 2.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8564 -1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 -1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7135 -1.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9989 -1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9891 2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 1.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8557 -2.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 -2.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 -1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5911 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3052 0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0201 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6755 2.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 3.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 3.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 3.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1045 2.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 2.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 -1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3319 2.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3655 -1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7866 0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7866 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5004 -0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2156 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2156 0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9302 -0.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6445 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4594 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2529 -1.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7391 -0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5525 -0.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7421 -1.4271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0546 0.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1574 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1574 1.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4436 1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7284 1.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7284 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8722 1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5864 1.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8088 1.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1988 2.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5403 3.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6221 1.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3500 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3089 2.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8874 -2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8660 -2.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5985 -1.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8874 -3.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8660 -1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5985 -1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5822 -2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7311 -1.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6019 -3.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5822 -3.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8874 -1.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7309 -0.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1516 -3.2947 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 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 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 34 48 1 0 38 49 1 0 42 50 1 0 43 51 1 0 47 52 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 53 57 1 0 43 53 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 58 62 1 0 37 61 1 0 38 58 1 0 42 63 1 0 47 64 1 0 16 65 1 0 11 66 1 0 64 66 1 0 63 65 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 25 67 1 0 70 72 1 0 72 73 1 0 1 74 1 0 74 75 1 0 76 77 1 0 77 79 1 0 77 78 1 0 76 80 1 0 73 78 1 0 75 77 1 0 81 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 81 85 1 0 56 85 1 0 82 86 1 0 86 87 1 0 88 89 1 0 89 90 1 0 88 91 1 0 88 92 1 0 88 93 1 0 32 90 1 0 91 87 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
95106 1 0 96 92 1 0
A 106 Glc S SKP 6 AUTODRAW FALSE ID EEL1022 FORMULA C93H172O11 EXACTMASS 1465.289966346 AVERAGEMASS 1466.35418 SMILES C(O4)CC(C1)CC(C(C2)CC(C(CCCC(CCC(CCCC(C)C(C8)CC(C8)CCCC(C)CCOCC([H])(OCCC(C3)CC(C(C7)CC(C7)C(C)CCCC(CCC(C)CCCC(C(C6)CC(C6)CCCC(C)CCOCC([H])(COC(C(O)5)C(O)(CO)C(O)C5OC)4)C)C)C3)CO)C)C)C)C2)C1 M END
