HMDB0300275 RDKit 3D DG(20:4(5Z,8Z,11Z,13E)+=O(15)/i-21:0/0:0) 126125 0 0 0 0 0 0 0 0999 V2000 17.9526 0.7963 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5274 -0.4709 -0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4658 -0.2261 -1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2326 0.3961 -0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6596 -0.5002 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4642 0.1185 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0693 1.2267 0.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7568 -0.5616 1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6672 -0.0064 2.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9853 -0.7016 3.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9259 -0.2418 3.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3117 1.0695 3.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9354 0.7681 3.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 1.0305 1.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2715 1.6713 0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3468 0.7353 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9176 1.0059 -1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2955 2.2743 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8571 2.0421 -2.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1057 1.4218 -1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 1.1127 -1.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2639 1.2944 -2.6707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8671 0.6110 -0.5415 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5549 0.2177 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 -1.1634 -1.1996 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1695 -1.5364 -2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5423 -1.5040 -2.1596 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -1.3663 -1.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7449 -2.2959 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -2.9570 0.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1942 -2.6044 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9802 -1.7295 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -1.9908 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0418 -1.7709 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -0.4267 -1.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5754 0.7521 -1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0334 0.8750 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9215 -0.0090 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7914 0.0244 0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0611 1.3553 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4578 1.8476 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5386 0.9834 1.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9409 1.5182 1.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3169 1.6460 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3237 0.3782 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2277 -0.7189 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6773 -0.6230 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4455 0.3732 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3220 0.1745 1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9615 0.1778 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0893 1.5853 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2022 1.1200 0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8914 0.6371 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2286 -1.2708 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4240 -0.8703 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1747 -1.1803 -2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8802 0.5068 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4834 1.3754 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4791 0.5666 -1.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4071 -1.5088 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3719 -0.6914 0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0548 -1.5212 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3484 0.9391 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3523 -1.6784 3.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4489 -0.8215 4.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9093 1.7149 2.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1933 1.6669 4.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3103 0.2839 3.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 0.7714 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 1.8720 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 2.6208 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8027 -0.2338 -0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0368 0.2087 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8342 2.5984 -2.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3898 3.1170 -1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 3.0362 -2.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8556 1.4266 -3.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0564 2.1653 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 0.4709 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 0.9752 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 0.2944 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 -1.9043 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 -2.5999 -2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 -0.9455 -3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -2.0272 -2.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3684 -3.6707 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 -2.4671 -1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6962 -1.9258 1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8189 -0.6514 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 -3.0948 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9262 -1.4490 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -2.4628 -2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0650 -2.1523 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 -0.5035 -3.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7846 -0.2265 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 1.6494 -2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1852 1.0128 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3800 0.7841 -2.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3285 1.9581 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9838 0.3751 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9642 -1.0689 -0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6034 -0.6750 1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8656 -0.4293 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3559 2.1231 1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8010 1.3535 2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5364 2.0207 0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5085 2.8506 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3918 0.9812 2.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4819 -0.0675 1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9473 2.5489 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6133 0.8630 2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1707 2.3267 -0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4572 2.2597 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3494 0.6003 -1.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2656 -0.0450 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9009 -1.6143 -0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0213 -1.1281 0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0361 -0.6230 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0912 -1.6336 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2848 1.4309 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2807 -0.0289 2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9801 1.1561 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5330 -0.5601 2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1767 -0.9126 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1442 0.6375 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5532 0.7070 0.8252 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 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 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 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 48 49 1 0 48 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 0 24 81 1 0 25 82 1 1 26 83 1 0 26 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END