HMDB0264769 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)+=O(15)/20:1(11Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -16.7920 4.5097 -1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5180 3.6215 -1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5470 4.2106 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1815 3.7082 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9575 2.2731 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3055 1.2751 -0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1993 -0.1658 -0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8948 -0.7501 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2648 -0.2093 0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0668 0.3127 0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1342 0.4543 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8985 -0.4191 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4435 -1.7886 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6565 -2.9212 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4464 -3.4081 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2734 -2.4986 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -3.1343 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6541 -4.4282 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 -5.0128 -0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 -4.1893 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1658 -4.5571 -1.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2483 -2.9830 0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -2.2756 0.2282 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1772 -1.9636 1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -1.4528 2.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5086 -2.3421 1.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -3.5065 1.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 -2.0682 2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2193 -0.6221 2.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6937 -0.4849 2.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5683 -1.0916 1.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 -0.5328 1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 0.8334 1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3281 1.1320 1.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2320 0.2587 2.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1690 -1.1598 2.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9834 -2.0583 1.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 -1.8379 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3838 -0.5276 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3898 -0.3678 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7933 1.0014 -0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2175 1.9941 -0.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9127 1.1590 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3739 2.5831 -1.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5098 2.7928 -2.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9090 4.2565 -2.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3579 4.4676 -1.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.9435 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -0.2278 -0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 1.2579 -1.2461 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5257 1.4827 -1.5484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 1.1597 -2.7134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 2.5538 -0.3251 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9098 4.7640 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6278 3.8757 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7194 5.3520 -1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2241 3.4651 -2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9368 2.6505 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4998 5.3445 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0331 4.2002 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6584 4.3728 0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6335 3.9522 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5070 2.0977 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8715 2.2112 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5839 1.4618 -1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2853 1.4901 -1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8430 -0.2974 0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7371 -0.7763 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0738 -1.8793 -0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1951 -0.7640 -1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8026 -0.2173 1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6813 0.6981 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7709 1.4993 -0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4796 0.1961 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5167 -0.0642 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1713 -0.2299 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3169 -1.6886 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9793 -2.0977 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3399 -3.8469 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3374 -2.6855 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -4.3797 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6570 -3.8011 -0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0046 -2.2629 1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4285 -1.5548 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4242 -3.3366 -1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2993 -2.3505 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4911 -5.1605 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2915 -4.1940 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 -5.1757 -1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -6.0349 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 -2.8342 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 -2.8819 2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 -1.2602 2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -2.4959 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -2.6656 3.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0259 -0.0388 1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 -0.2363 3.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 0.5714 2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -1.0090 3.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3719 -2.1792 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1120 -1.1993 0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2827 1.3208 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 1.4771 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5988 2.2429 1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1817 0.7529 2.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1399 -1.5983 2.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5811 -1.4043 3.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7496 -3.1562 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4408 -2.7004 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9267 0.3564 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8425 -1.2322 -0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7080 0.4417 -1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5321 0.9308 -2.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5908 2.8962 -0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5107 3.1875 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1349 2.5246 -3.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3466 2.1534 -2.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7367 4.4758 -3.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0012 4.8548 -2.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0521 5.3375 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8233 3.5384 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4793 4.7204 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3262 -1.1213 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9527 -0.3302 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 2.0439 -3.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 2.3138 0.4220 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 2 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 1 0 17 18 1 0 18 19 1 0 19 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 6 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 52125 1 0 53126 1 0 M END