HMDB0286346 RDKit 3D PC(LTE4/18:1(11Z)) 151150 0 0 0 0 0 0 0 0999 V2000 -0.0776 5.3456 2.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 4.5221 2.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 3.1358 3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 2.3378 2.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 1.9305 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 2.9054 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 3.0506 -1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 2.3678 -1.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1366 1.3172 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 0.1162 -1.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 -0.2598 -3.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -1.4042 -3.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7152 -1.5345 -4.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8287 -2.6627 -5.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -2.8254 -6.6176 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2503 -3.7836 -6.0139 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -4.5728 -4.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 -5.4015 -3.8422 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3910 -6.4999 -4.5853 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4465 -5.7042 -2.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 -6.8611 -2.0768 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 -4.6525 -1.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -4.6915 -0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6788 -3.3437 0.3278 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1445 -2.9861 0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0842 -1.7352 1.2972 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 -1.1045 1.8019 P 0 0 0 0 0 5 0 0 0 0 0 0 6.2928 -0.3704 0.7225 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5323 -2.2788 2.4813 O 0 0 0 0 0 1 0 0 0 0 0 0 5.1844 0.0212 3.0591 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1255 -0.6961 4.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8151 0.1458 5.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7346 1.2012 5.7186 N 0 0 0 0 0 4 0 0 0 0 0 0 5.4773 1.7787 7.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4796 2.2665 4.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1195 0.8756 5.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 -3.3195 1.5905 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1028 -2.3061 1.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9712 -1.4516 0.8851 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2714 -2.0742 3.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0198 -2.8158 2.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0595 -2.6375 3.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4762 -1.1827 3.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 -0.9350 4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8129 -1.6254 4.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7507 -1.5729 3.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3887 -0.3471 3.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4538 0.6135 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9711 -0.0801 1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 0.3182 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8848 1.5431 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9298 2.4422 -0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5355 3.7268 -1.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9932 4.5401 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6212 5.8582 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6833 6.7245 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 -3.4724 -7.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7687 -4.7846 -7.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -2.6620 -8.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6459 -3.2083 -9.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 -3.1234 -10.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -3.6663 -11.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 -3.6383 -12.9858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6193 -4.2004 -11.8565 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 4.8331 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 6.2468 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5934 5.6938 3.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 4.6031 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4424 5.0126 3.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 2.5777 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 3.3060 4.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9947 2.8773 1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 1.4084 2.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0713 1.1159 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 1.4167 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 3.6116 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 3.8970 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 3.1957 -2.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0955 2.2539 -3.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8041 1.5734 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -0.6516 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 0.5211 -3.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 -2.1974 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -0.7077 -5.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1735 -3.4650 -5.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 -1.8515 -6.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 -5.2883 -4.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -3.7930 -3.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8209 -4.6855 -3.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6011 -6.8530 -5.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -6.2775 -5.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 -5.3283 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 -5.1274 -0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 -2.5274 -0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 -3.7189 1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7919 -3.0114 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 -1.3127 4.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2486 -1.4228 4.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8185 -0.5368 6.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 0.5555 5.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3028 1.5626 7.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4372 2.8690 6.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 1.4421 7.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6852 3.2209 5.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4032 2.2737 4.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1229 2.0921 3.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6816 1.8011 5.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4886 0.5299 6.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3091 0.1031 4.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -0.9946 3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -2.4762 3.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4528 -2.3298 1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -3.8931 2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -2.9067 4.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9132 -3.3130 3.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5847 -0.5623 4.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7477 -0.8191 2.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 -1.2989 5.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5742 0.1726 5.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6347 -2.7643 5.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4385 -1.4147 5.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 -2.1893 2.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6201 -2.2862 4.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0216 0.1703 4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1645 -0.5934 2.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9045 1.5826 2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5062 0.7867 3.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4132 -1.0354 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7295 -0.3117 -0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2445 2.0990 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7273 1.2891 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9522 2.5596 -0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6768 1.8743 -1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3619 3.4979 -2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7438 4.2922 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7812 3.9597 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1592 4.7346 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9016 6.3846 0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5668 5.6696 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5614 7.7371 -1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6538 6.2720 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0834 6.8321 -2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 -3.4172 -8.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 -4.8201 -6.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2558 -1.6023 -8.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -2.7007 -7.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -2.6847 -9.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 -4.2805 -9.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 -3.6124 -10.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5131 -2.0368 -10.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0737 -4.5381 -12.6842 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 15 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 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 12 83 1 0 13 84 1 0 14 85 1 0 15 86 1 6 17 87 1 0 17 88 1 0 18 89 1 1 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 6 25 95 1 0 25 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 57143 1 6 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 64151 1 0 M CHG 2 29 -1 33 1 M END