HMDB0007543 RDKit 3D DG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/0:0) 122121 0 0 0 0 0 0 0 0999 V2000 -16.0824 -2.4811 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9510 -1.4557 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3878 -0.1769 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3789 0.9392 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9450 1.0690 1.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8118 2.0117 1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6108 1.7418 2.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1951 0.4208 2.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1045 -0.2782 2.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3704 0.0623 1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4115 1.2477 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3276 2.1899 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1845 2.2000 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7358 1.1776 1.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4955 0.4349 1.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4044 1.4178 1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0986 0.8391 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 0.2412 -0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1764 -0.3478 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 0.6312 -1.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1629 1.8069 -1.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0065 0.2426 -2.3729 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 1.1159 -2.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.5823 -1.4753 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8608 2.5433 -1.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 1.8944 -2.9104 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 0.4471 -0.8755 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 0.1374 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5596 0.9883 1.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8103 -1.0532 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 -2.1445 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 -1.8428 -0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5735 -1.4585 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 -1.1518 -1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 -2.2872 -2.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3735 -3.5156 -1.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6532 -3.5202 -0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 -3.1783 -1.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0819 -1.8440 -2.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0983 -1.0650 -1.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1387 -1.3952 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1365 -0.4070 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3583 1.0199 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6229 1.1768 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8643 0.8347 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3201 1.5786 0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5459 1.6450 2.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4071 2.4641 3.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7453 -3.4185 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3799 -2.7208 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9569 -2.1041 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1461 -1.8740 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4743 -1.3786 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7307 -0.1940 -1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7154 1.8433 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9211 0.1689 2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8248 1.6579 2.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9679 3.0732 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8955 2.5993 2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0227 0.4604 3.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1219 -0.2439 2.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8434 -1.2858 2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5700 -0.6981 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5208 0.8275 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4002 1.7366 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4802 3.0787 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4740 3.0670 0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4363 0.5940 2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2495 1.8177 2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7342 -0.2271 0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2128 -0.2343 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6739 2.2326 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2154 1.9384 2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4158 1.6948 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 0.1087 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8634 1.0146 -1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1833 -0.5472 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7577 -1.1090 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 -0.8719 -2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7201 0.6325 -3.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 1.9882 -3.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 2.1412 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 2.9501 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 3.4038 -2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6251 0.9260 -2.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -1.4791 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7096 -0.7459 1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -3.0500 0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2653 -2.4609 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8652 -1.0711 -1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -2.7653 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4525 -0.5198 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 -2.2264 0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2274 -0.2662 -1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5376 -0.9220 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7992 -2.5368 -2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3938 -1.9470 -3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 -4.3120 -2.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6143 -3.9939 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 -4.5686 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5751 -2.8009 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0248 -3.9129 -2.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7858 -3.5072 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4312 -1.3897 -2.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1386 -0.0653 -2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -1.3482 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1200 -2.3807 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1381 -0.4499 0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9109 -0.6563 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2653 1.7089 0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4597 1.2820 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6876 2.2787 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5607 0.6919 -1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8368 -0.2977 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7094 0.8495 -1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5523 2.6764 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3878 1.2151 1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6151 2.2422 2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3339 0.6851 2.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7888 2.5981 4.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3378 1.8919 3.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5879 3.4324 2.6780 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 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 24 27 1 0 27 28 1 0 28 29 2 0 28 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 2 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 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 23 81 1 0 24 82 1 1 25 83 1 0 25 84 1 0 26 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 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 48121 1 0 48122 1 0 M END