HMDB0112930 RDKit 3D PS(24:1(15Z)/22:2(13Z,16Z)) 160159 0 0 0 0 0 0 0 0999 V2000 -18.4446 -2.1927 1.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4275 -3.1337 2.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7162 -3.9568 1.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9862 -3.0806 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2960 -3.9594 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3335 -4.8711 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0526 -4.8445 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4085 -3.9298 -1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3615 -3.0902 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3741 -1.7725 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4683 -0.9851 -1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0720 -0.0097 -2.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0837 1.0041 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7073 2.0308 -2.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8271 3.1266 -2.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4452 2.9476 -1.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1006 2.1030 -0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5931 2.2725 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7242 1.8482 -1.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2941 2.1490 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 1.7795 -2.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 2.2310 -1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 2.7737 -2.3164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 2.1098 -0.2065 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 2.5788 0.2686 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4648 1.5849 0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 0.5011 0.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 -0.5005 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 -0.5624 -0.2601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9275 -1.6090 -1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 -1.0591 -1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 -1.9870 -2.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5362 -3.2595 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 -2.9028 -0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6429 -4.1301 0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3384 -3.9181 1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6893 -3.3706 1.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0443 -2.0588 1.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 -1.6803 1.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5103 -2.6664 1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8867 -2.2587 1.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3609 -0.9301 1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4627 -0.9649 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5634 -0.7378 -0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8460 -0.4128 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9477 -1.4134 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2438 -1.0575 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7751 0.2794 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0812 0.6467 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1883 -0.3328 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5017 -0.4614 -1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6428 -1.4694 -1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.7986 1.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 3.4529 2.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8654 4.8298 3.1467 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3046 4.9308 3.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9705 4.6475 4.5897 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 6.1838 2.2911 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3742 6.8664 1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8257 8.0712 0.9030 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9470 8.7444 0.2866 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 7.6120 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 7.8696 -1.3394 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 6.8962 0.2261 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.9578 -1.3014 1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1309 -1.8138 2.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0014 -2.7773 1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9773 -3.7671 3.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7103 -2.5220 3.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4244 -4.5776 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9492 -4.5521 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2323 -2.4867 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6091 -2.3436 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1416 -4.6149 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9683 -3.3938 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7033 -5.5916 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4007 -5.5512 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8007 -4.6477 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0574 -3.4306 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4779 -3.5606 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5580 -1.2144 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9146 -0.3555 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3201 -1.5578 -1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4995 -0.4879 -3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9273 0.5116 -2.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6175 1.5094 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2406 0.3654 -1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2148 1.5053 -3.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6588 2.4917 -3.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3507 3.7896 -1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8024 3.8627 -3.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0496 3.9920 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7946 2.6993 -2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6209 2.4388 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1765 0.9979 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3603 1.5710 0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 3.3008 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8753 2.5121 -2.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8856 0.8262 -1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0687 1.5149 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1996 3.2038 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 2.4435 -2.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 0.7315 -2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 2.9900 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3675 2.0341 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 1.1397 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3006 -1.8225 -1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 -2.4784 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1886 -0.1355 -2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7426 -0.7274 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -1.4404 -2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 -2.1970 -3.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2631 -3.7916 -2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 -3.9374 -1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 -2.2208 -0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -2.3383 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 -4.6983 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2079 -4.8642 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6237 -3.3507 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3258 -4.9461 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4214 -4.1733 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9575 -3.3163 3.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3918 -1.2499 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1301 -2.0766 0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5081 -1.4612 2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6723 -0.7326 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3503 -3.6906 1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5418 -2.8058 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6267 -3.0328 1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8310 -2.1766 2.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5361 -0.1828 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2202 -0.5434 1.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5624 -1.1991 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5370 -0.7937 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1826 0.5501 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8184 -0.1645 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6016 -2.3737 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0190 -1.6011 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9717 -1.8567 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1397 -1.0752 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9673 0.2316 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0197 1.0915 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9699 0.6986 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4057 1.6618 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0953 0.0516 0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8801 -1.3153 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7525 0.4988 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5970 -0.8841 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2413 -1.4249 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2665 -1.1373 -2.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2269 -2.4637 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 4.5472 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2988 4.1113 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 3.8120 5.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 7.3130 2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9384 6.2490 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 8.7847 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5293 9.5188 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4059 8.1040 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 7.2718 0.3915 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 2 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 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 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 2 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 25 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 62 63 2 0 62 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 20101 1 0 21102 1 0 21103 1 0 25104 1 6 26105 1 0 26106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 44134 1 0 45135 1 0 45136 1 0 46137 1 0 46138 1 0 47139 1 0 47140 1 0 48141 1 0 48142 1 0 49143 1 0 49144 1 0 50145 1 0 50146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 1 0 52151 1 0 53152 1 0 53153 1 0 57154 1 0 59155 1 0 59156 1 0 60157 1 1 61158 1 0 61159 1 0 64160 1 0 M END