HMDB0007795 RDKit 3D DG(24:0/16:1(9Z)/0:0) 130129 0 0 0 0 0 0 0 0999 V2000 14.5635 3.7548 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8189 2.3642 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0918 1.7778 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4009 0.4309 -1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2189 -0.5096 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4723 -1.8563 -1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5696 -2.9535 -1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4072 -3.0484 -0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6639 -1.9997 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3071 -1.6830 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4500 -2.9255 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2475 -3.5007 0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6709 -2.7466 2.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -2.2280 2.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9232 -1.2393 0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 -0.8652 1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9231 -1.3868 2.2455 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7505 0.0211 0.4872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 0.2840 0.8950 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2065 1.7205 1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 2.1376 1.7116 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4751 -0.3223 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1499 -0.3007 -0.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 0.5250 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2745 1.7109 -0.4719 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -0.0635 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4608 -0.0975 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6102 -0.7230 2.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9832 -0.2655 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5263 -0.4139 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 -0.0338 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3336 1.3385 1.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 2.4559 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1537 2.5631 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5580 2.6559 -1.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4534 1.4967 -1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8323 1.8823 -1.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7985 0.7529 -1.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0373 0.2696 -0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5777 1.2572 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9080 1.8430 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9969 0.7887 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2779 1.5224 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4718 0.6079 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6726 -0.1922 0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8818 -1.0740 0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7988 -2.0355 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6553 -2.9947 -0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8052 4.2491 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0699 3.6465 0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4708 4.3564 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9126 1.7870 -0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8868 2.5421 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8978 1.6428 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9439 2.4817 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3382 0.0568 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4677 0.5301 -2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2868 -0.5059 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3637 -0.0616 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9250 -1.7980 -2.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4268 -2.1832 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9290 -3.9382 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9420 -4.0789 -0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3274 -2.4989 1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1678 -1.1304 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3444 -1.2355 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8287 -0.9439 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -3.7445 -1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -2.7627 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5215 -4.3917 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 -4.0661 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3252 -1.8613 2.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7495 -3.3732 2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1692 -1.6777 3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5215 -3.0577 2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5053 -0.2998 1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9017 -1.5654 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 -0.3071 1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 2.2780 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0189 2.1277 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 2.7234 2.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 0.0436 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8027 -1.4232 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9364 0.7036 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 -1.0078 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3432 1.0031 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5161 -0.5388 2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -1.8643 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -0.7965 3.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0614 0.8391 2.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7138 -0.7254 2.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 0.1813 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5219 -1.5107 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4536 -0.7294 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4876 -0.3377 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4062 1.4004 1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8443 1.5109 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0752 3.4066 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6892 2.4410 0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6837 1.7211 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6081 3.4678 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0610 3.6056 -1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5044 2.8200 -2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0918 0.6592 -2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6151 1.1681 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1877 2.8256 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6750 2.0681 -3.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7284 0.9967 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3522 -0.1165 -2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0878 -0.1402 -0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7241 -0.6101 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6604 0.7395 1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8635 2.0880 0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9155 2.4771 -0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1970 2.4980 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0656 0.3066 1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8032 0.0485 -0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2076 2.0858 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4802 2.3018 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4097 1.1902 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3582 -0.0430 -1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8610 0.5119 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7494 -0.7879 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0621 -1.6590 1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7857 -0.4530 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7434 -2.6296 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7592 -1.5128 -1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3697 -3.2810 0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7799 -2.6416 -0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9809 -3.9420 -0.8886 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 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 19 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 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 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 19 78 1 1 20 79 1 0 20 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 48130 1 0 M END