HMDB0010707 RDKit 3D CerP(d18:1/26:1(17Z)) 144143 0 0 0 0 0 0 0 0999 V2000 16.3258 -0.5587 2.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6397 -0.7751 1.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6071 -0.0323 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4904 -0.5533 -0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4951 0.1992 -1.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2914 1.6435 -1.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1239 2.2441 -1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8023 1.9852 -1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3779 0.5916 -1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2845 0.2216 -1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3725 1.1178 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0066 0.9842 -1.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9622 1.8563 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6284 1.7375 -1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1172 0.3422 -1.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8445 0.0925 -1.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 0.7916 -1.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2766 0.4902 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 -0.9867 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0607 -1.6717 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6243 -1.3621 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9258 -1.4699 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 -0.4237 1.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 0.9359 1.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7957 1.0241 1.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5015 0.3755 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0505 0.3713 -0.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7556 -0.2821 0.6707 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -0.9394 -0.2853 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1061 -2.3527 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -2.3432 -1.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 -3.9197 -1.7101 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8529 -4.5910 -0.4832 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -4.7886 -2.3231 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2128 -3.8297 -2.8928 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0091 -1.0749 0.0670 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7060 -1.7714 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6242 0.2487 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2803 0.7904 -0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9322 2.1335 -0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4203 1.8366 -0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9282 0.8182 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3498 0.4863 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9351 -0.5306 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9829 -0.0378 2.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5012 -1.0239 3.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8410 -1.5695 3.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9978 -0.6803 3.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3193 0.1886 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7368 -0.6339 0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0195 0.2882 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1070 1.2736 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3969 0.5771 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7685 -0.2892 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5777 -0.1976 3.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8018 -1.5132 2.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7200 0.2280 1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4874 -0.3423 2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8129 -1.8352 1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5589 -0.1953 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4631 1.0547 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5110 -0.4710 -0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6653 -1.6468 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0536 -0.3214 -2.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6449 0.1191 -2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2100 2.0645 -1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4027 2.0753 -2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2677 3.3582 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0977 1.8530 -0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0246 2.7201 -1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9362 2.2887 -2.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9961 -0.1546 -2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0453 -0.8482 -1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6442 2.1636 -0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2312 0.8232 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0991 1.2569 -2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7747 -0.0972 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2575 2.9202 -0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8181 1.6192 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9242 2.4032 -0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7347 2.1538 -2.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9023 -0.2813 -1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 -0.0679 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 0.3970 -2.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6825 -1.0065 -1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 1.8736 -1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 0.3912 -1.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 0.9991 0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0265 0.9163 0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0765 -1.5162 -0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0856 -1.1764 1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4393 -1.7365 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1663 -2.7986 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 -2.0825 -1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 -0.3110 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 -1.6161 0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2182 -2.5017 1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 -0.3814 2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.7898 2.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 1.2558 0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 1.7253 2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 2.1529 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1776 0.6647 2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0632 -0.2384 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 -0.3856 -1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8835 -2.7592 -1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 -2.9205 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8521 -4.4747 -3.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 -2.9060 -3.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1744 -1.6554 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1301 -2.5978 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5345 0.7450 1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 0.2604 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5271 2.8907 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8879 2.4063 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9364 2.8063 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5256 1.5142 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2608 -0.0568 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8586 1.3262 1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9583 1.4080 -0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4410 0.0533 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9012 -0.8376 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2953 -1.4513 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5382 0.9355 2.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8723 0.2253 2.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7686 -1.9324 3.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2778 -0.6976 4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9778 -2.4365 3.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9672 -2.1678 2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9191 -1.3663 3.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9366 -0.0783 4.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6314 0.9346 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2619 0.7546 2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0372 -1.4221 0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7313 -1.0944 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2734 -0.3106 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1046 0.8668 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2744 1.9213 -1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7851 1.9550 0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2259 1.3310 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3646 -0.0254 1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8700 -0.3741 -1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3351 0.1258 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3067 -1.2937 -0.8396 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 29 36 1 0 36 37 1 0 36 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 22 96 1 0 22 97 1 0 23 98 1 0 23 99 1 0 24100 1 0 24101 1 0 25102 1 0 25103 1 0 28104 1 0 29105 1 6 30106 1 0 30107 1 0 34108 1 0 35109 1 0 36110 1 1 37111 1 0 38112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 54144 1 0 M END