HMDB0071124 RDKit 3D TG(10:0/i-15:0/a-13:0)[rac] 125124 0 0 0 0 0 0 0 0999 V2000 2.9632 4.9823 6.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 5.9771 6.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0913 6.4506 4.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 5.2592 4.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 5.6823 2.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 4.4303 2.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 4.8017 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7269 3.5875 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1212 2.5981 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 1.4432 -0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0916 1.4674 -1.4662 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1408 0.3867 0.0483 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 -0.7546 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 -0.6315 -1.5378 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2754 0.1224 -2.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 -0.3309 -3.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 -1.4723 -4.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2496 -2.2141 -4.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 -1.9723 -5.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 -1.0279 -5.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6853 0.2900 -5.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 1.1818 -5.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 1.3877 -4.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6391 2.3164 -4.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 2.6097 -3.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 3.5316 -3.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2394 3.9267 -2.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3543 4.8550 -2.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9652 2.7594 -1.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 3.3408 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1028 -1.9186 -1.9634 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3992 -2.3258 -1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1336 -1.5281 -1.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7974 -3.6569 -2.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 -4.0630 -1.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -4.2639 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -5.4061 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4835 -5.7202 1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4814 -4.7166 2.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2581 -4.3013 3.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1217 -3.6509 2.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 -3.3768 3.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -2.7537 3.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -3.5189 2.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3975 -4.7872 2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 -4.5293 3.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -5.9114 2.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 5.0098 8.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8979 5.2349 6.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 3.9431 6.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 6.8675 6.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 5.5043 5.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 7.1296 4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1627 6.9561 5.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 4.5695 4.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 4.7465 3.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 6.1655 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6216 6.4421 2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 3.9787 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 3.7489 2.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 5.4809 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1229 5.3571 0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1431 3.9576 -0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 3.1101 -0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 2.1935 1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 3.0856 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -1.4664 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 -1.2854 -0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5325 -0.1025 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2506 0.1108 -3.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1868 1.2107 -2.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5004 -2.1176 -6.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 -2.9916 -4.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -1.4653 -5.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 -0.8391 -3.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 0.0813 -6.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 0.7911 -5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 2.1386 -6.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 0.6472 -6.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 0.4307 -3.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 1.8209 -3.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 3.2791 -4.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 1.7855 -5.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 1.6415 -2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 3.0016 -2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1242 4.4649 -3.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1798 3.0498 -4.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6413 4.4571 -1.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8309 5.2881 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9339 5.5937 -3.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0418 4.1689 -3.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7573 2.4503 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 1.9399 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 4.3078 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7537 3.5628 -0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6027 2.6513 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5884 -3.7622 -3.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -4.4629 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4475 -5.0158 -2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9111 -3.3200 -2.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6956 -3.3619 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7206 -4.6467 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8724 -5.1430 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0066 -6.2884 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8575 -6.6215 1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5166 -6.2057 1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9299 -3.7576 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3059 -4.9621 3.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5883 -3.5981 4.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7951 -5.2162 3.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 -2.6233 2.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 -4.1704 1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5408 -2.6328 4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8743 -4.2842 4.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0845 -1.7508 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1861 -2.4623 3.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -2.8539 1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 -3.7197 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2929 -5.1455 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9484 -5.5130 4.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 -3.9510 3.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 -4.0498 4.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 -5.8863 2.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 -6.8738 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2942 -6.0507 4.0150 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 2 0 10 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 2 0 17 19 1 0 19 20 1 0 20 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 1 0 27 28 1 0 27 29 1 0 29 30 1 0 14 31 1 0 31 32 1 0 32 33 2 0 32 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 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 13 67 1 0 13 68 1 0 14 69 1 1 15 70 1 0 15 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 30 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 M END