HMDB0276254 RDKit 3D PI(16:2(9Z,12Z)/20:4(5Z,8Z,10E,14Z)-OH(12S)) 135135 0 0 0 0 0 0 0 0999 V2000 -0.0445 5.2012 2.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 4.7472 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 4.5681 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6764 3.5565 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9317 3.7573 1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 4.9737 0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1051 5.6637 2.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 5.3961 3.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 4.2666 4.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 3.7372 5.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7279 3.1014 4.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7501 1.6963 4.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8667 1.1936 3.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1327 -0.3293 2.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1165 -0.8152 1.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2668 -2.2309 1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2664 -2.8758 1.8194 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3457 -2.8909 0.6671 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 -4.2095 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9995 -4.4312 -0.5642 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9764 -4.4893 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 -4.6241 0.1426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3008 -4.6748 1.5412 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9301 -5.9111 2.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 -3.3135 2.4773 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9288 -4.8605 1.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -5.6353 -0.0853 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2785 -4.6868 -1.2283 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3852 -3.6277 -1.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 -5.4135 -2.5220 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6136 -4.7015 -3.5814 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 -6.8536 -2.4989 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3346 -7.7341 -2.3756 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4128 -7.1686 -1.3874 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6312 -6.5911 -1.7062 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -6.7788 -0.0297 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9891 -6.3967 0.7505 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 -3.4436 -1.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 -3.2372 -2.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8018 -4.2431 -3.5253 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7647 -1.8862 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 -1.7573 -4.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -0.2220 -5.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 0.1723 -6.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 0.9927 -6.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2947 1.6564 -6.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6019 1.3436 -6.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 0.7417 -6.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 0.2823 -4.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5889 -0.3049 -4.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 -0.8188 -2.9110 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0553 -0.8502 -2.5041 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 -0.0972 -1.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 1.3317 -1.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 1.9552 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 1.3090 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2796 1.9395 1.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 3.3811 1.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0721 3.6547 2.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4734 2.9985 3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 5.1781 2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3333 6.2576 2.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4322 4.5842 3.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 3.7005 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1128 5.4317 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4247 4.1306 -0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 5.5672 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2266 2.5538 0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4115 2.8856 1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5913 4.7895 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 5.7749 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6536 6.6721 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5067 6.1565 4.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6473 4.6413 4.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 3.4565 3.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9607 3.0283 5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 4.5943 5.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5390 3.1988 5.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2042 3.7215 3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7379 1.0113 5.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8321 1.5153 3.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1372 1.6140 2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7864 1.2907 3.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0083 -0.8309 3.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1665 -0.4918 2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0857 -0.7410 2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0612 -0.1472 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -4.8874 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2013 -4.4449 -0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -5.4744 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -5.2890 1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 -3.5363 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 -3.4972 3.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9073 -6.0257 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3224 -4.3772 -1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5482 -3.0993 -0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -5.3692 -2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 -4.1403 -4.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9176 -7.0968 -3.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 -8.6393 -2.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5515 -8.2649 -1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -6.6316 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4546 -7.6650 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7279 -5.9883 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 -1.2571 -2.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7241 -1.3601 -3.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5275 -2.1658 -5.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -2.1648 -5.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 0.0691 -4.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 0.2494 -4.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3723 -0.2496 -7.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 1.2286 -8.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 1.3331 -5.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1993 2.7802 -6.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 1.6454 -7.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 0.5718 -6.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6605 0.4040 -4.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4597 -0.3972 -4.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 -1.8848 -2.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 0.0609 -2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8202 -0.6399 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 -0.0808 -2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1152 1.9134 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0211 3.0406 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8156 0.2396 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1269 1.4232 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 1.8157 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 1.4269 2.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0461 3.7647 2.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3071 4.0007 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2205 4.7439 2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7606 3.2791 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 3.7534 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1514 2.1502 3.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 2.7043 4.0834 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 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 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 2 0 16 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 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 20 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 36 27 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 19 88 1 0 19 89 1 0 20 90 1 6 21 91 1 0 21 92 1 0 25 93 1 0 27 94 1 6 28 95 1 6 29 96 1 0 30 97 1 6 31 98 1 0 32 99 1 6 33100 1 0 34101 1 1 35102 1 0 36103 1 1 37104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 48116 1 0 49117 1 0 50118 1 0 51119 1 6 52120 1 0 53121 1 0 53122 1 0 54123 1 0 55124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 60135 1 0 M END