HMDB0298234 RDKit 3D DG(a-25:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0) 138137 0 0 0 0 0 0 0 0999 V2000 20.0227 -1.2415 0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0013 -1.0353 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7183 -1.6067 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5964 -0.9715 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5271 0.5158 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0707 1.2176 1.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0225 1.9484 1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0058 2.2948 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1338 1.8786 -0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3458 1.0375 -1.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2075 0.3264 -1.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7097 0.3673 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5277 0.7912 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5791 1.2802 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3834 1.7050 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 2.2196 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 3.3528 -0.4152 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2880 1.1458 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 -0.1441 -1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8121 -1.1832 -1.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 -1.5949 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 -2.8366 -0.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 -0.7263 0.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9051 -1.0991 1.5634 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8488 -0.6971 2.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0691 0.6569 2.6786 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 -0.4624 1.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 -0.6801 0.7802 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 -0.2404 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7037 0.4646 -0.8891 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -0.5833 -1.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2759 0.5861 -1.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4034 0.3403 -2.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3732 1.5025 -2.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9983 1.7272 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7511 0.4643 -0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 0.6599 0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1133 -0.4367 1.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3644 -0.9510 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 -1.4872 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7749 -2.1133 -1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8157 -1.0375 -0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1433 -1.6490 -1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2288 -0.6414 -1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3928 -0.0535 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6821 -1.0303 1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8293 -1.9277 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2033 -1.4069 1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6125 -0.5939 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0925 -0.2118 0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3900 0.5822 1.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5549 1.8639 1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8489 1.0437 1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7914 -0.1209 1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7611 -0.6402 1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0620 -2.3226 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9990 -0.9214 0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9741 -0.0368 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4477 -1.6941 -1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6684 -2.7072 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6753 -1.4934 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6196 0.8434 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1243 0.7248 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6976 1.1194 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8780 2.3908 2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1277 3.4973 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0202 2.1678 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9648 2.3745 -1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5974 0.8226 -2.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3866 0.4514 -1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4543 -0.7998 -1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3352 -0.0054 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2031 0.7954 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7348 1.3494 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 1.6791 1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8251 2.4470 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3383 3.1063 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8805 0.9820 -0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 1.4644 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4801 -0.0095 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 -0.5111 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2276 -2.0978 -2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -0.7850 -2.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8144 -2.2074 1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 -1.0145 3.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -1.2360 2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6147 1.1602 3.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6842 0.6259 2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 -0.9107 2.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 -0.7906 -2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1718 -1.5082 -1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 1.4649 -1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 0.6984 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 0.2583 -3.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9225 -0.6133 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8968 2.4286 -2.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1987 1.2110 -3.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7651 2.5167 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 2.0706 -0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0352 -0.3848 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4616 0.1849 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0784 1.5615 0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6277 1.0812 1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3155 -0.1733 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3676 -1.3120 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1016 -0.0643 0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8295 -1.7276 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4039 -0.5898 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6466 -2.2218 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9589 -2.9845 -0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7143 -2.4336 -2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8597 -0.8119 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5392 -0.1708 -1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0952 -2.0408 -2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2799 -2.5275 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9519 0.2178 -1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1982 -1.0250 -1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0520 0.7985 0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3738 0.4218 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8182 -0.4073 2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7371 -1.6103 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7514 -2.6771 2.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7062 -2.6715 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4081 -0.8017 2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9298 -2.2714 1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5239 -1.1947 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0737 0.3401 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6848 -1.1425 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3041 0.3578 -0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1773 0.0697 2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5034 1.6647 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6877 2.3645 0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0435 2.5305 2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9665 1.7071 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0758 1.6066 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2949 -1.0482 1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1140 -0.2933 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6850 0.0129 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 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 51 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 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 6 25 85 1 0 25 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 52131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 M END