Mol:EEL0129
Copyright: ARM project http://www.metabolome.jp/
166105 0 0 0 0 0 0 0 0999 V2000
-5.6759 -3.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1931 -1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8050 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2397 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8514 0.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0768 -1.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1039 -0.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1896 0.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6063 1.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -0.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9116 -3.0132 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.9116 -2.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 -3.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9116 -3.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 1.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2888 1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9006 2.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3353 3.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9264 4.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1723 2.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1994 2.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4328 -3.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 -3.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0039 -3.4257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8297 4.3291 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.8297 5.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8297 3.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6547 4.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2871 5.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9225 6.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3571 7.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9689 7.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1943 6.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2214 6.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4214 6.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3071 8.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4214 7.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 8.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3928 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5959 0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0021 -0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2053 -0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3885 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9821 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -1.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 -1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3728 -1.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 -2.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9665 -2.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7634 -2.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5603 -2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3571 -2.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2078 -0.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -0.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 -0.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -1.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0204 -1.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 -1.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5734 -1.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 -1.9306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -2.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -2.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 -2.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3545 -2.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1514 -3.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 -3.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7096 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9979 5.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2862 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 4.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8626 4.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1508 3.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 3.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7274 3.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 2.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 2.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 1.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1196 1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8314 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5432 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 0.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6784 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7709 5.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0591 4.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3474 4.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6356 3.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 3.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2121 3.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5004 2.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 2.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 1.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 1.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 0.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0584 0.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1937 -0.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5922 -1.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1687 -2.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -2.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 -3.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -3.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 -4.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 -4.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8136 -5.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5254 -5.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 -6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 -6.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6606 -6.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3724 -7.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0842 -7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7959 -8.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6535 -2.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 -2.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 -3.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5182 -3.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8065 -4.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0947 -4.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6171 -4.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 -5.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 -5.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 -6.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -6.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1759 -7.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8876 -7.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5994 -7.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3111 -8.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7676 7.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0531 7.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3387 7.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 6.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9097 6.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1952 5.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4808 5.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 4.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0518 4.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 4.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 3.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0916 3.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 2.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 2.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 2.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9495 1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1801 7.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4656 6.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7512 6.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0367 5.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3222 5.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6077 5.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8933 4.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 4.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4643 3.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2501 3.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9646 3.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6791 2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 1.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8225 1.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 6 8 1 0 5 9 1 0 9 10 1 0 8 11 2 0 1 12 1 0 12 13 2 0 12 14 1 0 12 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 22 1 0 18 21 1 0 9 16 1 0 14 23 1 0 23 24 1 0 24 25 1 0 26 27 2 0 26 28 1 0 26 20 1 0 26 29 1 0 29 30 1 0 31 32 1 0 32 33 1 0 31 35 1 0 31 34 1 0 34 36 1 0 33 37 1 0 36 38 2 0 30 31 1 0 37 39 2 0 40 41 3 0 41 42 1 0 42 43 3 0 43 44 1 0 44 45 3 0 45 46 1 0 46 47 3 0 47 48 1 0 48 49 3 0 49 50 1 0 50 51 3 0 51 52 1 0 52 53 3 0 53 54 1 0 54 55 3 0 55 56 1 0 9 40 1 0 72 73 3 0 73 74 1 0 74 75 3 0 75 76 1 0 76 77 3 0 77 78 1 0 78 79 3 0 79 80 1 0 80 81 3 0 81 82 1 0 82 83 3 0 83 84 1 0 84 85 3 0 85 86 1 0 86 87 3 0 87 88 1 0 36 72 1 0
104105 3 0 105106 1 0 106107 3 0 107108 1 0 108109 3 0 109110 1 0 110111 3 0 111112 1 0 112113 3 0 113114 1 0 114115 3 0 115116 1 0 116117 3 0 117118 1 0 118119 3 0 119120 1 0
8104 1 0 39136 1 0
136137 3 0 137138 1 0 138139 3 0 139140 1 0 140141 3 0 141142 1 0 142143 3 0 143144 1 0 144145 3 0 145146 1 0 146147 3 0 147148 1 0 148149 3 0 149150 1 0 150151 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 M SAL 1 15 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 M SAL 1 2 70 71 M SBL 1 1 55 M SMT 1 C17H33 M SBV 1 55 -0.7969 0.2135 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 M SAL 2 15 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 M SAL 2 2 102 103 M SBL 2 1 72 M SMT 2 C17H33 M SBV 2 72 -0.7118 0.4171 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 15 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 M SAL 3 15 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 M SAL 3 2 134 135 M SBL 3 1 89 M SMT 3 C17H33 M SBV 3 89 -0.7118 0.4171 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 15 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 M SAL 4 15 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 M SAL 4 1 166 M SBL 4 1 90 M SMT 4 C16H31 M SBV 4 90 -0.7145 0.4125 S SKP 6 AUTODRAW FALSE ID EEL0129 FORMULA C83H97NO16P2 EXACTMASS 1425.628259081 AVERAGEMASS 1426.602942 SMILES C(C#CC#CC#CC)#CC#CC#CC#CC#CC(=O)OC(COP(OCCN)(O)=O)([H])COC(C#CC#CC#CC#CC#CC#CC#CC#CC)([H])OCC(COP(OCC(OC(=O)C#CC#CC#CC#CC#CC#CC#CC#CC)([H])COC=CC#CC#CC#CC#CC#CC#CC#CC#C)(O)=O)([H])O M END