HMDB0284750 RDKit 3D PE(DiMe(11,5)/20:3(5Z,8Z,11Z)-O(14R,15S)) 139140 0 0 0 0 0 0 0 0999 V2000 15.7025 -0.2457 -1.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3493 -0.1201 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8601 -0.4009 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5596 -0.2641 1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1119 -0.5225 1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2665 0.4578 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5731 0.1733 -0.2715 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9407 1.2364 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0595 1.3252 -1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5859 1.3672 -1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 0.0877 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8357 0.1236 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 0.2680 -1.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9022 -0.8391 -2.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -0.6102 -3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 -0.5300 -2.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 -1.8420 -2.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 -1.6366 -1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 -0.5016 -0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5861 -0.7691 0.1902 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 0.7097 -0.9335 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3234 1.7331 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4832 1.6943 1.2094 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4236 0.4882 2.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9305 -0.6659 1.5412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 -1.9305 2.6535 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7114 -1.8003 3.8149 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8142 -1.9100 3.2801 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0475 -3.4277 1.9024 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2718 -3.3937 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5532 -4.7009 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -4.9203 -0.4062 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8624 1.8427 0.8229 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6005 2.8960 1.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0004 3.6917 2.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 3.1415 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0005 2.4266 1.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8644 0.9107 1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8704 0.2393 2.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7813 -0.5768 2.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8773 -0.8988 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1904 -0.4644 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0994 -1.2203 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9320 -2.6362 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8361 -3.5853 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8298 -3.3844 0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3383 -2.1186 1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7700 -1.8733 0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3216 -0.6809 1.4143 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3649 -1.0092 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7898 0.0863 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1699 1.2136 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5952 2.2822 -0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6069 2.9326 -1.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9440 4.0137 -2.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2285 2.2719 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 3.6901 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0728 1.7952 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6728 2.5166 2.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8046 -0.4247 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2431 0.6707 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4224 -1.0803 -2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8887 -0.8909 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5215 0.9162 -0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3026 0.4016 -0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5725 -1.3888 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1611 -1.0245 1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8959 0.7267 1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8386 -1.5400 1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9148 -0.3708 2.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2470 2.2172 -2.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1581 0.3799 -2.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9672 1.4662 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3761 2.2114 -0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5606 -0.8222 -1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 0.1294 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 1.0177 0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6004 -0.8160 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9838 1.2634 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8478 0.3332 -0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7694 -1.8086 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9109 -0.8919 -2.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 -1.4411 -4.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1794 0.3076 -4.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 0.2747 -2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -0.3242 -3.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2374 -2.6858 -2.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -1.9931 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 -2.5426 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1048 -1.3156 -2.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 1.9234 0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 2.6906 -0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 2.5750 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 0.3486 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 0.6745 3.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9474 -2.6537 3.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 -2.5581 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0468 -3.2457 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -4.6155 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -5.5416 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7036 -5.7879 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5928 -5.0557 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2371 2.8539 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 4.2395 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 2.6917 2.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0087 2.6688 1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8103 0.5756 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 0.6185 2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8434 0.4457 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4901 -1.0365 2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0484 -0.5857 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8513 -2.0344 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4107 0.6299 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0171 -0.6906 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8728 -2.9896 -0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0048 -2.7694 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6178 -4.6888 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3608 -4.3178 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6711 -1.2824 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4272 -2.3384 2.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4151 -2.7526 1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4245 -1.2847 -0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6356 0.5939 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1503 -0.3121 -1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3499 0.8205 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9552 1.7225 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7456 1.8406 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1478 3.1150 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0178 2.1543 -2.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4076 3.3807 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5201 4.0880 -3.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9968 4.9451 -2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8965 3.6860 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5473 4.3884 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8749 3.8381 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4798 3.8904 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7430 1.8103 3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9694 3.3345 2.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6476 2.9072 1.9183 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 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 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 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 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 50 48 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 1 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 57134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 M END