HMDB0299322 RDKit 3D DG(i-16:0/0:0/18:3(9,11,15)-OH(13)) 109108 0 0 0 0 0 0 0 0999 V2000 16.7252 -0.4556 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4411 0.2596 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3336 -0.4586 -1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5844 0.2171 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4763 -0.5008 -2.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1630 0.1434 -2.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 1.4596 -2.7158 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6929 -0.0330 -0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8597 0.7459 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 0.4846 1.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6059 1.2585 1.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1955 0.9851 3.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6889 0.7785 3.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 1.9577 2.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 1.6085 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1256 0.4358 1.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 0.6628 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 -0.6088 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -0.9174 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 -0.0836 -0.5008 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 -2.1066 0.4209 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -2.5355 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -1.5648 1.5522 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0227 -1.4371 2.7421 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0688 -2.1356 2.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 -2.3360 0.9411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3982 -1.3603 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1149 -0.1633 0.2688 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2803 -1.8693 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6163 -2.2005 -0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2262 -0.9744 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4405 0.0609 -0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0762 1.3183 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3925 1.0033 0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3578 0.4138 -0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6962 0.0955 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6544 -0.4873 -1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9746 -0.8567 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8279 0.1765 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2592 1.3174 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0639 0.9549 -1.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4650 2.1826 -2.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3781 0.2816 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0162 -0.1157 -1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5673 -1.5386 -0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5672 -0.1252 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3102 0.1631 0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4639 1.3293 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1721 -1.5040 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7418 1.2520 -2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6188 -0.4582 -3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4219 -1.5797 -2.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4011 -0.3916 -2.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6028 2.0733 -2.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0708 -0.8946 -0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4578 1.6082 -0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8410 -0.3868 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2106 2.1180 1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6271 0.0347 3.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4054 1.8412 3.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4771 -0.0731 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3133 0.4200 4.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0523 2.8629 3.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2374 2.2199 1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2282 1.2945 3.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 2.4901 2.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 -0.4725 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 0.3108 1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4779 1.0069 0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 1.4647 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 -0.5338 -1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7171 -1.4198 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 -3.5264 1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4854 -2.6678 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 -0.5978 1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 -0.5555 3.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -3.0840 2.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4558 -1.3907 2.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 -2.7867 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3391 -1.1496 -1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4106 -2.9536 0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3147 -2.6364 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2214 -1.2676 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5523 -0.6094 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0395 -0.3929 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4967 0.4018 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4162 1.7477 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1456 2.0842 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8950 1.9398 0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2627 0.3643 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4855 1.1724 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9952 -0.5123 -1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4571 -0.5720 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0988 1.0787 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8075 0.2216 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1502 -1.3646 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5617 -1.4332 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8073 -1.6399 0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3762 0.5811 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7593 -0.3461 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9360 1.9561 -0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4475 2.0039 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5644 0.2597 -2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4902 2.5279 -2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7389 2.9872 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3799 2.0102 -3.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1364 -0.7302 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1064 0.2681 -2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7369 0.8776 -0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 41 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 22 73 1 0 22 74 1 0 23 75 1 6 24 76 1 0 25 77 1 0 25 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 42104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 43109 1 0 M END